{"id":101,"date":"2008-10-01T12:41:47","date_gmt":"2008-10-01T03:41:47","guid":{"rendered":"https:\/\/sar.pharm.or.jp\/?p=101"},"modified":"2018-12-10T12:54:14","modified_gmt":"2018-12-10T03:54:14","slug":"sarnews-no-15","status":"publish","type":"post","link":"https:\/\/sar.pharm.or.jp\/en\/sarnews-no-15\/","title":{"rendered":"SARNews No.15"},"content":{"rendered":"<p><ahref=\"https:\/\/sar.pharm.or.jp\/wp-content\/uploads\/2018\/09\/SARNews_15.pdf\">SARNews_15<\/a><\/p>\n<p>\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u90e8\u4f1a\u30fb\u30cb\u30e5\u30fc\u30b9\u30ec\u30bf\u30fc<1October,2008>SARNewsNo.15\u300c\u76ee\u6b21\u300d\/\/\/\/\/Perspective\/Retrospective\/\/\/\/\/Fragment-BasedDrugDiscovery\uff1a\u305d\u306e\u6982\u5ff5\u3068\u72d9\u3044\u7530\u4e2d\u5927\u8f14\uff65\uff65\uff65\uff12\/\/\/\/\/CuttingEdge\/\/\/\/\/Biacore\u306b\u3088\u308b\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u8cea-\u4f4e\u5206\u5b50\u5316\u5408\u7269\u76f8\u4e92\u4f5c\u7528\u89e3\u6790\u306eFBDD\u3078\u306e\u5fdc\u7528\u68b6\u539f\u5927\u4ecb\u3001\u68ee\u672c\u9999\u7e54\uff65\uff65\uff65\uff18X\u7dda\u306b\u3088\u308bFragment-BasedScreening\u5c71\u91ce\u662d\u4eba\uff65\uff65\uff65\uff11\uff13FBDD\u306e\u305f\u3081\u306einsilico\u30a2\u30d7\u30ed\u30fc\u30c1\u9ad8\u6a4b\u7406\uff65\uff65\uff65\uff11\uff17\/\/\/\/\/Activities\/\/\/\/\/\uff1c\u5831\u544a\uff1e\u69cb\u9020\u6d3b\u6027\u30d5\u30a9\u30fc\u30e9\u30e02008\u300c\u6a19\u7684\u86cb\u767d\u8cea\u5fd7\u5411\u306e\u30b1\u30df\u30ab\u30eb\u30d0\u30a4\u30aa\u30ed\u30b8\u30fc\u3068\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u300d\u958b\u50ac\u5831\u544a\u4e45\u4fdd\u5bfa\u82f1\u592b\uff65\uff65\uff65\uff12\uff11SARPromotionAward\u5e73\u621020\u5e74\u5ea6\u53d7\u8cde\u8005\u7c73\u7530\u7167\u4ee3\uff65\uff65\uff65\uff12\uff12\uff1c\u4f1a\u544a\uff1e\u7b2c36\u56de\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\uff65\uff65\uff65\uff12\uff13\u7b2c8\u56de\u85ac\u7269\u306e\u5206\u5b50\u8a2d\u8a08\u3068\u958b\u767a\u306b\u95a2\u3059\u308b\u65e5\u4e2d\u5408\u540c\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\uff65\uff65\uff65\uff12\uff18SARNewsNo.15(Oct.2008)\/\/\/\/\/Perspective\/Retrospective\/\/\/\/\/Fragment-BasedDrugDiscovery\uff1a\u305d\u306e\u6982\u5ff5\u3068\u72d9\u3044\u5927\u65e5\u672c\u4f4f\u53cb\u88fd\u85ac\u5316\u5b66\u7814\u7a76\u6240\u7530\u4e2d\u5927\u8f141.\u306f\u3058\u3081\u306b\u4f4e\u5206\u5b50\u533b\u85ac\u54c1\u306e\u5275\u88fd\u306b\u304a\u3044\u3066\u3001\u30af\u30aa\u30ea\u30c6\u30a3\u30fc\u306e\u9ad8\u3044\u30ea\u30fc\u30c9\u5316\u5408\u7269\u3092\u52b9\u7387\u3088\u304f\u898b\u51fa\u3059\u904e\u7a0b\u306f\u3001\u7814\u7a76\u305d\u306e\u3082\u306e\u306e\u904b\u547d\u306b\u5927\u304d\u306a\u5f71\u97ff\u3092\u4e0e\u3048\u308b\u6975\u3081\u3066\u91cd\u8981\u306a\u7b2c\u4e00\u6b69\u3067\u3042\u308b\u3002\u73fe\u5728\u306e\u30ea\u30fc\u30c9\u63a2\u7d22\u306e\u4e3b\u6d41\u306fHighThroughputScreening\uff08HTS\uff09\u3067\u3042\u308a\u3001\u88fd\u85ac\u5404\u793e\u306f\u305d\u306e\u30a4\u30f3\u30d5\u30e9\u6574\u5099\u3068\u904b\u7528\u306b\u5927\u304d\u306a\u4e88\u7b97\u3092\u5272\u3044\u3066\u3044\u308b\u3002\u3057\u304b\u3057\u8fd1\u5e74\u3001\u5275\u85ac\u306e\u5bfe\u8c61\u3068\u306a\u308b\u6cbb\u7642\u6a19\u7684\u2015\u4f8b\u3048\u3070\u30bf\u30f3\u30d1\u30af\uff0d\u30bf\u30f3\u30d1\u30af\u76f8\u4e92\u4f5c\u7528\u306e\u963b\u5bb3\u306a\u3069\u2015\u304c\u96e3\u3057\u3044\u3082\u306e\u3068\u306a\u308b\u50be\u5411\u3082\u3042\u308a\u3001HTS\u304b\u3089\u5f97\u3089\u308c\u308b\u30a2\u30a6\u30c8\u30d7\u30c3\u30c8\u304c\u5fc5\u305a\u3057\u3082\u6e80\u8db3\u884c\u304f\u3082\u306e\u3067\u306f\u306a\u3044\u3068\u306e\u610f\u898b\u304c\u805e\u304b\u308c\u308b\u3088\u3046\u306b\u306a\u3063\u3066\u304d\u305f\u3002Fragment-BasedDrugDiscovery\uff08FBDD\uff09\u306f\u3001\u5f93\u6765\u306eHTS\u3067\u306f\u901a\u5e38\u7528\u3044\u3089\u308c\u308b\u3053\u3068\u306e\u306a\u3044\u69cb\u9020\u7684\u306b\u30b7\u30f3\u30d7\u30eb\u3067\u5c0f\u3055\u306a\u5316\u5408\u7269\uff08\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\uff09\u306e\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u3092\u8d77\u70b9\u3068\u3057\u3001\u5275\u85ac\u30ea\u30fc\u30c9\u3068\u3057\u3066\u9ad8\u3044\u30af\u30aa\u30ea\u30c6\u30a3\u30fc\u3092\u3082\u3064\u5316\u5408\u7269\u3078\u3068\u5c55\u958b\u3059\u308b\u65b0\u3057\u3044\u5275\u85ac\u65b9\u6cd5\u8ad6\u3067\u3042\u308b[1,2]\u3002HTS\u3067\u6709\u671b\u306a\u30ea\u30fc\u30c9\u5316\u5408\u7269\u3092\u898b\u51fa\u3059\u3053\u3068\u304c\u3067\u304d\u306a\u304b\u3063\u305f\u30b1\u30fc\u30b9\u3067\u3042\u3063\u3066\u3082\u3001FBDD\u304c\u6709\u52b9\u306a\u5834\u5408\u304c\u591a\u304f\u5831\u544a\u3055\u308c\u3066\u3044\u308b\u3002\u305d\u306e\u305f\u3081FBDD\u306fHTS\u3068\u76f8\u88dc\u7684\u306a\u30ea\u30fc\u30c9\u63a2\u7d22\u624b\u6cd5\u3068\u3057\u3066\u5927\u304d\u306a\u6ce8\u76ee\u3092\u96c6\u3081\u3001\u6b27\u7c73\u3092\u4e2d\u5fc3\u306bFBDD\u3092\u30c6\u30fc\u30de\u306b\u3057\u305f\u5b66\u4f1a\u306a\u3069\u3082\u958b\u304b\u308c\u308b\u3088\u3046\u306b\u306a\u3063\u3066\u3044\u308b\u3002\u56fd\u5185\u88fd\u85ac\u5404\u793e\u306b\u304a\u3044\u3066\u3082\u3001\u72ec\u81ea\u306bFBDD\u3092\u5b9f\u8df5\u3059\u308b\u52d5\u304d\u304c\u898b\u3089\u308c\u308b\u307b\u304b\u3001\u5185\u5916\u306eFBDD\u4f01\u696d\u3068\u306e\u30a2\u30e9\u30a4\u30a2\u30f3\u30b9\u7de0\u7d50\u3092\u884c\u3046\u30b1\u30fc\u30b9\u304c\u5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9f\u7684\u306b\u304b\u3064\u7c21\u4fbf\u306b\u8868\u73fe\u3057\u305f\u3046\u3048\u3067\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\u3092\u5b9a\u7fa9\u3059\u308b\u3082\u306e\u3068\u3057\u3066\u3001\u7d50\u5408\u52b9\u7387\u6307\u6570\uff08BEI\uff09\u3001\u30d1\u30fc\u30bb\u30f3\u30c8\u963b\u5bb3\u52b9\u7387\u6307\u6570\uff08PEI\uff09\u3001\u8868\u9762\u7d50\u5408\u52b9\u7387\u6307\u6570\uff08SEI\uff09\u304c\u63d0\u6848\u3055\u308c\u3066\u3044\u308b\uff08Table1\uff09[11]\u3002\u7d50\u5408\u89aa\u548c\u6027\u5f37\u5ea6\u3092\u8868\u73fe\u3059\u308b\u9805\u76ee\u3068\u3057\u3066\u3088\u308a\u8eab\u8fd1\u306a\u4efb\u610f\u306e\u6fc3\u5ea6\u3067\u306e\u963b\u5bb3\u7387\u3084IC50\u5024\u3001\u305d\u3057\u3066\u5206\u5b50\u306e\u5927\u304d\u3055\u3092\u8868\u3059\u6307\u6a19\u3068\u3057\u3066\u5206\u5b50\u91cf\u3042\u308b\u3044\u306f\u6975\u6027\u8868\u9762\u7a4d\uff08PSA\uff09\u304c\u63a1\u7528\u3055\u308c\u3066\u3044\u308b\u3002\u3053\u308c\u3089\u306b\u95a2\u3057\u3066\u3082\u8907\u6570\u3092\u540c\u6642\u306b\u9451\u307f\u3001\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306e\u9078\u629e\u3092\u9042\u884c\u3059\u308b\u3053\u3068\u304c\u63a8\u5968\u3055\u308c\u3066\u3044\u308b\u3002Table1.\u5404\u7a2e\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\u6307\u6570\uff08LigandEfficiencyIndex;LEI\uff09LEI=\u6c34\u7d20\u4ee5\u5916\u306e\u539f\u5b50\u6570\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\uff08\u0394G\uff09\u7d50\u5408\u52b9\u7387\u6307\u6570\uff08BindingEfficiencyIndex;BEI\uff09BEI=\u5206\u5b50\u91cf\uff08\uff09\u6d3b\u6027\uff08\u3001\u3001\uff09kDapKipKdpIC50\u30d1\u30fc\u30bb\u30f3\u30c8\u963b\u5bb3\u52b9\u7387\u6307\u6570\uff08PercentEfficiencyIndex;PEI\uff09PEI=\u5206\u5b50\u91cf\uff08\uff09\u963b\u5bb3\u6d3b\u6027\uff08\uff09kDa%inhibition\u8868\u9762\u7d50\u5408\u52b9\u7387\u6307\u6570\uff08Surface-bindingEfficiencyIndex;SEI\uff09SEI=\u6975\u6027\u8868\u9762\u7a4d\uff08\uff09\u6d3b\u6027\uff08\u3001\u3001\uff09250\u00c5pKipKdpICHajduk\u306f\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304b\u3089\u7406\u60f3\u7684\u306a\u69cb\u9020\u6700\u9069\u5316\u3092\u7d4c\u3066\u30ea\u30fc\u30c9\u5316\u5408\u7269\u3078\u81f3\u308b\u904e\u7a0b\u3067\u3042\u3063\u3066\u3082\u3001\u6d3b\u6027\u306e\u5897\u5927\u3068\u76f8\u53cd\u3057\u3066\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\u306f\u4f4e\u4e0b\u3059\u308b\u50be\u5411\u306b\u3042\u308b\u3053\u3068\u3092\u5831\u544a\u3057\u3066\u3044\u308b[9]\u3002\u5f93\u3063\u3066\u3001\u3042\u3089\u304b\u3058\u3081\u9ad8\u3044\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\u3092\u3082\u3063\u305f\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u3092\u9078\u629e\u3059\u308b\u3053\u3068\u304c\u91cd\u8981\u306a\u30dd\u30a4\u30f3\u30c8\u3068\u306a\u308b\u3002\u4f8b\u3048\u3070\u3001\u5206\u5b50\u91cf\u304c500Da\u306710nM\u306eIC50\u3092\u793a\u3059\u5316\u5408\u7269\u3092\u76ee\u6a19\u3068\u3057\u305f\u5834\u5408\u3001\u305d\u306eBEI\u306f16\u3068\u8a08\u7b97\u3055\u308c\u308b\u3002\u5f93\u3063\u3066\u3053\u306e\u5834\u5408\u3001\u5408\u6210\u5c55\u958b\u306e\u8d77\u70b9\u3068\u306a\u308b\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306fBEI\u304c16\u3092\u4e0a\u56de\u308b\u3082\u306e\u306b\u6ce8\u76ee\u3059\u3079\u304d\u3067\u3042\u308b\u30025.\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304b\u3089\u30ea\u30fc\u30c9\u3078\u306e\u5408\u6210\u5c55\u958b\u9ad8\u3044\u7d50\u5408\u52b9\u7387\u3092\u793a\u3057\u3066\u3044\u305f\u3068\u3057\u3066\u3082\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306e\u7d50\u5408\u89aa\u548c\u6027\uff08\u6d3b\u6027\uff09\u306f\u901a\u5e38\u975e\u5e38\u306b\u5f31\u304f\u3001\u305d\u308c\u4ee5\u5916\u306b\u3082\u69d8\u3005\u306a\u89b3\u70b9\uff08\u85ac\u7269\u52d5\u614b\u3001\u7279\u8a31\u6027\u306a\u3069\uff09\u304b\u3089\u30ea\u30fc\u30c9\u5316\u5408\u7269\u3068\u547c\u3076\u306b\u306f\u3042\u307e\u308a\u306b\u3082\u672a\u719f\u3067\u3042\u308b\u3002\u3053\u3053\u304b\u3089\u306f\u30e1\u30c7\u30a3\u30b7\u30ca\u30eb\u30b1\u30df\u30b9\u30c8\u306b\u3088\u308b\u5408\u6210\u5316\u5b66\u7684\u306a\u5c55\u958b\u304c\u884c\u308f\u308c\u308b\u3002\u305d\u306e\u624b\u6cd5\u3068\u3057\u3066\u4fbf\u5b9c\u7684\u306b\u3044\u304f\u3064\u304b\u306b\u5206\u985e\u3055\u308c\u3066\u63d0\u6848\u3055\u308c\u3066\u3044\u308b\u304c\u3001\u53b3\u5bc6\u306b\u5206\u985e\u3059\u308b\u3053\u3068\u306b\u5927\u304d\u306a\u610f\u5473\u306f\u306a\u304f\u3001\u4e0a\u624b\u304f\u7d44\u307f\u5408\u308f\u305b\u3066\u7814\u7a76\u3092\u9032\u3081\u308b\u3053\u3068\u304c\u91cd\u8981\u3067\u3042\u308b\u3002\u5171\u901a\u3057\u3066\u8a00\u3048\u308b\u3053\u3068\u306f\u3001\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u3068\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u306e\u7d50\u5408\u306b\u95a2\u3059\u308b\u69cb\u9020\u60c5\u5831\uff08\u7d50\u6676\u89e3\u6790\u307e\u305f\u306f\u30c9\u30c3\u30ad\u30f3\u30b0\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\uff09\u306f\u5408\u7406\u7684\u306a\u5c55\u958b\u306b\u6975\u3081\u3066\u91cd\u8981\u3067\u3042\u308b\u3002\u2460Fragment-Linking\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u306e\u96a3\u63a5\u3059\u308b\u30dd\u30b1\u30c3\u30c8\u306b\u7d50\u5408\u3059\u308b\u8907\u6570\u306e\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304c\u9078\u629e\u3055\u308c\u305f\u5834\u5408\u3001\u9069\u5207\u306a\u30ea\u30f3\u30ab\u30fc\u3092\u4ecb\u3057\u3066\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u540c\u58eb\u3092\u7d50\u5408\u3055\u305b\u308bFragment-Linking\u304c\u9b45\u529b\u7684\u306a\u624b\u6cd5\u3067\u3042\u308b\uff08Figure5\uff09\u3002\u89aa\u548c\u6027\u306e\u5f31\u3044\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u540c\u58eb\u3092\u7d50\u5408\u3055\u305b\u308b\u3053\u3068\u306b\u3088\u308a\u98db\u8e8d\u7684\u306b\u6d3b\u6027\u304c\u5411\u4e0a\u3059\u308b\u3053\u3068\u304c\u3042\u308b\uff08superadditivity\uff09[12]\u3002\u3057\u304b\u3057\u3001\u3053\u306e\u65b9\u6cd5\u306f\u8003\u3048\u308b\u3088\u308a\u3082\u56f0\u96e3\u3092\u4f34\u3046\u3002\u305d\u308c\u306f\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304a\u3088\u3073\u30ea\u30f3\u30ab\u30fc\u306e\u6b6a\u307f\u3084\u30bf\u30f3\u30d1\u30af\u3068\u306e\u9759\u96fb\u7684\u30fb\u7acb\u4f53\u7684\u53cd\u767a\u304c\u751f\u3058\u308b\u3053\u3068\u306a\u304f\u305d\u308c\u305e\u308c\u306e\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306e\u7d50\u5408\u69d8\u5f0f\u3092\u518d\u73fe\u3059\u308b\u3053\u3068\u304c\u5fc5\u8981\u3068\u3055\u308c\u308b\u305f\u3081\u3067\u3042\u308b\u3002\u305d\u3082\u305d\u3082\u3001\u30b1\u30df\u30ab\u30eb\u30b9\u30da\u30fc\u30b9\u306e\u7db2\u7f85\u6027\u306fHTS\u306b\u6bd4\u3079\u3066\u826f\u3044\u3068\u306f\u3044\u3048\u3001Fragment-Linking\u3092\u5b9f\u65bd\u3059\u308b\u306e\u306b\u90fd\u5408\u306e\u3088\u3044\uff08\u4e92\u3044\u306b\u8fd1\u3059\u304e\u305a\u9060\u3059\u304e\u305a\u9069\u3057\u305f\u76f8\u5bfe\u914d\u7f6e\u306e\uff09\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30da\u30a2\u3092\u898b\u51fa\u3059\u3053\u3068\u306f\u5bb9\u6613\u3067\u306f\u306a\u3044\u3002-5-SARNewsNo.15(Oct.2008)OCNCNFigure5.Fragment-Linking\u306e\u6a21\u5f0f\u56f3\u3068MMP-3\u963b\u5bb3\u5264\u3078\u306e\u9069\u7528\u4f8b[13]\u2461Fragment-Merging\u7d50\u5408\u306b\u969b\u3057\u3066\u540c\u4e00\u306e\u30dd\u30b1\u30c3\u30c8\u3092\u5171\u6709\u3059\u308b\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304c\u898b\u3064\u304b\u3063\u305f\u5834\u5408\u306f\u3001\u305d\u308c\u3089\u3092\u90e8\u5206\u7684\u306b\u91cd\u306d\u5408\u308f\u305b\u878d\u5408\u3055\u305b\u308bFragment-Merging\u304c\u884c\u308f\u308c\u308b\u3002\u4e00\u822c\u7684\u306b\u8a00\u308f\u308c\u308b\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u5316\u3068\u540c\u3058\u8003\u3048\u3067\u3042\u308b\u3002\u540c\u4e00\u306e\u30dd\u30b1\u30c3\u30c8\u3068\u3044\u3046\u975e\u5e38\u306b\u5c0f\u3055\u306a\u7a7a\u9593\u3092\u5bfe\u8c61\u3068\u3059\u308b\u305f\u3081\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u540c\u58eb\u306e\u7a7a\u9593\u7684\u91cd\u306a\u308a\u3084\u5316\u5b66\u7684\u306a\u76f8\u540c\u6027\u304c\u9ad8\u3044\u5834\u5408\u304c\u591a\u304f\u3001Fragment-Linking\u3088\u308a\u3082\u6d3b\u7528\u3067\u304d\u308b\u5834\u9762\u306f\u591a\u3044\u3068\u601d\u308f\u308c\u308b\u3002\u307e\u305f\u3001\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u540c\u58eb\u3067\u306f\u306a\u304f\u3001\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u3068\u65e2\u77e5\u306e\u30ea\u30ac\u30f3\u30c9\uff08HTS\u30d2\u30c3\u30c8\u3084\u516c\u77e5\u306e\u963b\u5bb3\u5264\u306a\u3069\uff09\u3068\u306e\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u5316\u306f\u3001\u77ed\u6642\u9593\u306b\u9ad8\u6d3b\u6027\u3068\u69cb\u9020\u7684\u65b0\u898f\u6027\u3092\u7372\u5f97\u3059\u308b\u306e\u306b\u6709\u52b9\u306a\u624b\u6bb5\u3068\u306a\u308a\u3046\u308b\u3002Figure6.Fragment-Merging\u306e\u6a21\u5f0f\u56f3\u3068Urokinase\u963b\u5bb3\u5264\u3078\u306e\u9069\u7528\u4f8b[14]\u2462FragmentGrowth\uff08FragmentEvolution\uff09FragmentGrowth\u306f\u3001\u5358\u72ec\u306e\u30d2\u30c3\u30c8\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304b\u3089\u306e\u901a\u5e38\u306e\u30e1\u30c7\u30a3\u30b7\u30ca\u30eb\u30b1\u30df\u30b9\u30c8\u30ea\u30fc\u3092\u5c55\u958b\u3059\u308b\u3082\u306e\u3067\u3042\u308b\u3002\u5358\u72ec\u306e\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u3067\u3042\u3063\u3066\u3082\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u3068\u52b9\u7387\u3088\u304f\u76f8\u4e92\u4f5c\u7528\u3057\u3066\u3044\u308b\u3053\u3068\u304b\u3089\u3001\u30ea\u30fc\u30c9\u5206\u5b50\u306e\u30b3\u30a2\u69cb\u9020\u3068\u3057\u3066\u597d\u307e\u3057\u304f\u3001\u5408\u6210\u5c55\u958b\u306b\u3088\u308a\u69cb\u9020\u7684\u306a\u7121\u99c4\u306e\u5c11\u306a\u3044\u30ea\u30fc\u30c9\u3078\u5c0e\u304d\u3084\u3059\u3044\u3068\u8003\u3048\u3089\u308c\u3066\u3044\u308b\u3002\u307e\u305f\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306f\u305d\u306e\u69cb\u9020\u7684\u30b7\u30f3\u30d7\u30eb\u3055\u3086\u3048\u3001\u8cfc\u5165\u306b\u3088\u308b\u985e\u7e01\u5316\u5408\u7269\u306e\u5165\u624b\u304c\u5bb9\u6613\u3067\u3042\u308a\u3001\u521d\u671f\u306eSAR\u7372\u5f97\u3084FragmentGrowth\u306f\u30b9\u30d4\u30fc\u30c7\u30a3\u30fc\u306b\u884c\u3046\u3053\u3068\u304c\u3067\u304d\u308b\u3002Figure7.FragmentGrowth\u306e\u6a21\u5f0f\u56f3\u3068PKB\u963b\u5bb3\u5264\u3078\u306e\u9069\u7528\u4f8b[15]MeNHOHHOOOHN+HO1Mw:75Kd=17mM2Mw:209Kd=0.02mM3Mw:296Kd=0.000015mM(15nM)\uff0bClClClClOOHOHOOOHO+O4Mw:267IC50=150\u03bcM5Mw:266IC50=75\u03bcM6Mw:335IC50=10\u03bcMHNNH2HNNHNNHNClN7Mw:144IC50=135\u03bcM8Mw:201IC50=3\u03bcM9Mw:338IC50=0.018\u03bcM-6-SARNewsNo.15(Oct.2008)-7-\u30d2\u30c3\u30c8\u5316\u5408\u7269\u304b\u3089\u306e\u5408\u6210\u5c55\u958b\u3067\u306f\u3001\u6d3b\u6027\u306e\u5897\u5927\u306e\u307f\u306a\u3089\u305a\u3001\u521d\u671f\u304b\u3089\u30ea\u30fc\u30c9\u5316\u5408\u7269\u3068\u3057\u3066\u597d\u307e\u3057\u3044\u7269\u6027\u3092\u4fdd\u6301\u3055\u305b\u308b\u3053\u3068\u306b\u6ce8\u610f\u3092\u6255\u3046\u3079\u304d\u3067\u3042\u308b\u3002\u3053\u306e\u305f\u3081\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304b\u3089\u306ehit-to-lead\u7814\u7a76\u306f\u3001\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\u306e\u5909\u5316\u306b\u6ce8\u610f\u3092\u6255\u3044\u3001\u4ed8\u52a0\u3055\u308c\u308b\u5206\u5b50\u91cf\u306b\u898b\u5408\u3063\u305f\u6d3b\u6027\u306e\u5411\u4e0a\u3092\u691c\u8a3c\u3057\u306a\u304c\u3089\u9032\u3081\u3089\u308c\u308b\u3002\u533b\u85ac\u54c1\u5206\u5b50\u3068\u3057\u3066\u91cd\u8981\u306a\uff08\u6700\u4f4e\u9650\u306e\uff09\u6c34\u6eb6\u6027\u306b\u95a2\u3057\u3066\u306f\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u3092\u96c6\u3081\u308b\u6bb5\u968e\u3067\u8003\u616e\u3055\u308c\u3066\u304a\u308a\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306e\u512a\u4f4d\u6027\u306e\u3072\u3068\u3064\u3067\u3042\u308b\u3002\u3053\u3046\u3044\u3063\u305f\u8003\u3048\u65b9\u306fFBDD\u306e\u307f\u306b\u7559\u307e\u3089\u305a\u3001\u3044\u304b\u306a\u308b\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u624b\u6bb5\uff08HTS\u306a\u3069\uff09\u3092\u8d77\u70b9\u3068\u3057\u305f\u533b\u85ac\u54c1\u5316\u5b66\u7814\u7a76\u306b\u304a\u3044\u3066\u3082\u4eca\u5f8c\u91cd\u8981\u8996\u3055\u308c\u308b\u306f\u305a\u3067\u3042\u308b\u30026.\u307e\u3068\u3081\u3053\u306e\u3088\u3046\u306b\u3001\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\u306b\u4ee3\u8868\u3055\u308c\u308bFBDD\u306b\u5305\u542b\u3055\u308c\u305f\u6982\u5ff5\u3084\u54f2\u5b66\u3068\u3082\u8a00\u3048\u308b\u3082\u306e\u304c\u4eca\u5f8c\u306e\u533b\u85ac\u54c1\u5316\u5b66\u7814\u7a76\u3092\u306f\u3058\u3081\u3068\u3059\u308b\u5275\u85ac\u7814\u7a76\u5168\u822c\u306b\u4e0e\u3048\u308b\u5f71\u97ff\u306f\u5927\u304d\u3044\u3068\u3001\u79c1\u306f\u8003\u3048\u3066\u3044\u308b\u3002FBDD\u3067\u306f\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u306e\u69cb\u7bc9\u6bb5\u968e\u304b\u3089\u5316\u5408\u7269\u306e\u6c34\u6eb6\u6027\u3092\u91cd\u8981\u8996\u3057\u3001\u5206\u5b50\u306e\u5927\u304d\u3055\u3042\u305f\u308a\u306e\u7d50\u5408\u89aa\u548c\u6027\uff08\u30ea\u30ac\u30f3\u30c9\u52b9\u7387\uff09\u8a55\u4fa1\u3092\u7d4c\u3066\u3001\u69cb\u9020\u7684\u306b\u7121\u99c4\u304c\u5c11\u306a\u304f\u7279\u7570\u7684\u306b\u7d50\u5408\u3057\u305f\u5316\u5408\u7269\u3092\u53b3\u9078\u3059\u308b\u8a66\u307f\u304c\u306a\u3055\u308c\u3066\u3044\u308b\u3002\u305d\u306e\u7d50\u679c\u3001FBDD\u304c\u6709\u671b\u306a\u30ea\u30fc\u30c9\u5316\u5408\u7269\u3092\u898b\u51fa\u3059\u5b9f\u4f8b\u304c\u591a\u304f\u5831\u544a\u3055\u308c\u59cb\u3081\u3001\u5275\u85ac\u7814\u7a76\u306e\u73fe\u5834\u3067\u306fHTS\u3068\u76f8\u88dc\u7684\u306a\u30ea\u30fc\u30c9\u63a2\u7d22\u624b\u6cd5\u3068\u3057\u3066\u306e\u5730\u4f4d\u304c\u7bc9\u304b\u308c\u3064\u3064\u3042\u308b\u3002FBDD\u306f\u3001HTS\u3092\u51fa\u767a\u70b9\u3068\u3059\u308b\u5f93\u6765\u306e\u5275\u85ac\u3092\u9685\u306b\u8ffd\u3044\u3084\u308a\u51cc\u99d5\u3059\u308b\u3068\u3044\u3046\u3082\u306e\u3067\u306f\u306a\u304f\u3001\u65e2\u5b58\u306e\u5275\u85ac\u624b\u6cd5\u3068\u306e\u30b7\u30ca\u30b8\u30fc\u3092\u751f\u307f\u51fa\u3059\u5275\u85ac\u65b9\u6cd5\u8ad6\u3067\u3042\u308b\u3002\u305d\u3057\u3066\u597d\u307e\u3057\u3044\u30ea\u30fc\u30c9\u5316\u5408\u7269\u3089\u3057\u3055\uff08lead-likeness\uff09\u306b\u5bfe\u3059\u308b\u5f37\u3044\u610f\u8b58\u3092\u3082\u3046\u4e00\u5ea6\u7814\u7a76\u8005\u306b\u4fc3\u3057\u3066\u3044\u308b\u3068\u611f\u3058\u3089\u308c\u308b\u3002\u53c2\u8003\u6587\u732e1.a)Erlanson,D.A.etal.J.Med.Chem.2004,47,3463\uff0d3482.b)Rees,D.C.etal.NatureRev.DrugDiscov.2004,3,660\uff0d672.c)Jahnke,W.;Erlanson,D.A.(Ed.)Fragment-basedApproachesinDrugDiscovery,Wiley-VCH,2006.d)Hajduk,P.J.;Greer,J.NatureRev.DrugDiscov.2007,6,211\uff0d219.e)Congreve,M.etal.J.Med.Chem.2008,51,3661\uff0d3680.2.a)\u7530\u4e2d\u5927\u8f14\u3001\u30d5\u30a1\u30a4\u30f3\u30b1\u30df\u30ab\u30eb\u30012007\u300136(7)\u300132\uff0d40.b)\u7530\u4e2d\u5927\u8f14\u3001\u5275\u85ac\u652f\u63f4\u7814\u7a76\u306e\u5c55\u671b\uff08\u9ce5\u6fa4\u4fdd\u5ee3\u76e3\u4fee\uff09\u30012008\u5e74\u3001\u7b2c1\u7de8\u3001\u7b2c10\u7ae0.c)\u7530\u4e2d\u5927\u8f14\u3001PharmaVISIONNEWS\u30012008\u300112\u3001\u5370\u5237\u4e2d.3.Congreve,M.etal.DrugDiscov.Today2003,8,876\uff0d877.4.Bohacek,R.S.etal.Med.Res.Rev.1996,16,3\uff0d50.5.Keser\u0171,G.M.;Makara,G.M.DrugDiscov.Today2006,11,741\uff0d748.6.Hann,M.M.etal.J.Chem.Inf.Comput.Sci.2001,41,856\uff0d864.7.Teague,S.J.etal.Angew.Chem.,Int.Ed.1999,38,3743\uff0d3748.8.a)Leeson,P.D.;Springthorpe,B.NatureRev.DrugDiscov.2007,6,881\uff0d890.b)Gleeson,M.P.J.Med.Chem.2008,51,817\uff0d834.9.Hajduk,P.J.J.Med.Chem.2006,49,6972\uff0d6976.10.Hopkins,A.L.etal.DrugDiscov.Today2004,9,430\uff0d431.11.Abad-Zapatero,C.;Metz,J.T.DrugDiscov.Today2005,10,464\uff0d469.12.Olejniczak,E.T.etal.J.Am.Chem.Soc.1997,119,5828\uff0d5832.13.Hajduk,P.J.etal.J.Am.Chem.Soc.1997,119,5818\uff0d5827.14.Nienaber,V.L.etal.Nat.Biotechnol.2000,18,1105\uff0d1108.15.Saxty,G.etal.J.Med.Chem.2007,50,2293\uff0d2296.SARNewsNo.15(Oct.2008)\/\/\/\/\/CuttingEdge\/\/\/\/\/Biacore\u306b\u3088\u308b\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u8cea-\u4f4e\u5206\u5b50\u5316\u5408\u7269\u76f8\u4e92\u4f5c\u7528\u89e3\u6790\u306eFBDD\u3078\u306e\u5fdc\u7528GE\u30d8\u30eb\u30b9\u30b1\u30a2\u30d0\u30a4\u30aa\u30b5\u30a4\u30a8\u30f3\u30b9\u682a\u5f0f\u4f1a\u793e\u68b6\u539f\u5927\u4ecb\u3001\u68ee\u672c\u9999\u7e541.\u306f\u3058\u3081\u306b\u8fd1\u5e74\u3001Fragment-BasedDrugDiscovery(FBDD)\u306f\u533b\u85ac\u54c1\u63a2\u7d22\u306b\u304a\u3051\u308b\u4e00\u3064\u306e\u624b\u6cd5\u3068\u3057\u3066\u6ce8\u76ee\u3055\u308c\u3001HighThroughputScreening(HTS)\u3068\u4e26\u3076\u624b\u6cd5\u3068\u3057\u3066\u78ba\u7acb\u3055\u308c\u3064\u3064\u3042\u308b\u3002\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u306e\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u306b\u306f\u3001\u7d50\u5408\u72b6\u614b\u3092\u76f4\u63a5\u89e3\u6790\u3067\u304d\u308b\uff38\u7dda\u7d50\u6676\u69cb\u9020\u89e3\u6790\u3084NMR\u6cd5\u304c\u7528\u3044\u3089\u308c\u308b[1,2]\u3002\u3057\u304b\u3057\u3001\u6570\u5343\u304b\u3089\u6570\u4e07\u7a0b\u5ea6\u306e\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u3092\u5bfe\u8c61\u3068\u3057\u305f\u5834\u5408\u3001\u30b9\u30eb\u30fc\u30d7\u30c3\u30c8\u304c\u5341\u5206\u3067\u306a\u3044\u3053\u3068\u3084\u3001\u6a19\u7684\u86cb\u767d\u8cea\u306e\u4f7f\u7528\u91cf\u306b\u4f34\u3046\u30b3\u30b9\u30c8\u7684\u306a\u554f\u984c\u70b9\u3092\u6709\u3057\u3066\u3044\u308b\u3002Biacore\u306f\u3001\u8868\u9762\u30d7\u30e9\u30ba\u30e2\u30f3\u5171\u9cf4\uff08SurfacePlasmonResonance\u3001\u4ee5\u4e0bSPR\uff09\u3092\u6e2c\u5b9a\u539f\u7406\u3068\u3057\u3066\u7528\u3044\u3001\u6a19\u7684\u5206\u5b50\u3092\u6a19\u8b58\u3059\u308b\u3053\u3068\u306a\u304f\u3001\u5c11\u91cf\u306e\u30b5\u30f3\u30d7\u30eb\u3067\u9ad8\u611f\u5ea6\u306b\u305d\u306e\u5206\u5b50\u9593\u76f8\u4e92\u4f5c\u7528\u3092\u8a55\u4fa1\u3059\u308b\u4e8b\u306e\u51fa\u6765\u308b\u624b\u6cd5\u3067\u3042\u308b\u3002\u672c\u624b\u6cd5\u306f\u3001\u30b9\u30eb\u30fc\u30d7\u30c3\u30c8\u3001\u30b5\u30f3\u30d7\u30eb\u6d88\u8cbb\u91cf\u306e\u554f\u984c\u304c\u89e3\u6c7a\u3055\u308c\u308b\u3060\u3051\u3067\u306f\u306a\u304f\u3001\u7d50\u5408\u306e\u7279\u7570\u6027\u3001\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\uff65\u30ab\u30a4\u30cd\u30c6\u30a3\u30af\u30b9\u306a\u3069\u306e\u60c5\u5831\u3092\u7c21\u4fbf\u306b\u53d6\u5f97\u3067\u304d\u308b\u4e8b\u304b\u3089\u3001NMR\u3084X\u7dda\u7d50\u6676\u69cb\u9020\u89e3\u6790\u3068\u5408\u308f\u305b\u3066FBDD\u306e\u8a55\u4fa1\u6cd5\u306e\u4e00\u3064\u3068\u3057\u3066\u7d44\u307f\u8fbc\u307e\u308c\u3064\u3064\u3042\u308b[2,3]\u3002\u672c\u7a3f\u3067\u306f\u3001\u4f4e\u5206\u5b50\u533b\u85ac\u54c1\u306e\u30c7\u30b6\u30a4\u30f3\u306b\u304a\u3051\u308bSPR\u306e\u6d3b\u7528\u4e8b\u4f8b\u3092\u793a\u3057\u306a\u304c\u3089\u3001SPR\u306eFBDD\u306b\u304a\u3051\u308b\u5229\u70b9\u3084\u4eca\u5f8c\u306e\u53ef\u80fd\u6027\u306b\u95a2\u3057\u3066\u8b70\u8ad6\u3057\u305f\u3044\u30022.SPR\u3092\u7528\u3044\u305f\u86cb\u767d\u8cea\u3068\u4f4e\u5206\u5b50\u5316\u5408\u7269\u306e\u76f8\u4e92\u4f5c\u7528\u6e2c\u5b9aBiacore\u306f\u30012\u5206\u5b50\u9593\u306e\u7d50\u5408\u3001\u89e3\u96e2\u306b\u4f34\u3046\u30bb\u30f3\u30b5\u30fc\u30c1\u30c3\u30d7\u8868\u9762\u3067\u306e\u8cea\u91cf\u5909\u5316\u3092\u30b7\u30b0\u30ca\u30eb\u3068\u3057\u3066\u691c\u51fa\u3059\u308b\u3002\u6a19\u7684\u5206\u5b50\u3078\u306e\u6a19\u8b58\u3092\u884c\u3046\u3053\u3068\u306a\u304f\u3001\u5206\u5b50\u9593\u306e\u76f8\u4e92\u4f5c\u7528\u89e3\u6790\u304c\u53ef\u80fd\u3067\u3042\u308b\u3002\u305d\u3057\u3066\u3001\u8fd1\u5e74\u306eBiacore\u30c6\u30af\u30ce\u30ed\u30b8\u30fc\u306e\u9032\u6b69\u306b\u4f34\u3044\u3001\u6570100Da\u306e\u4f4e\u5206\u5b50\u5316\u5408\u7269\u306e\u7d50\u5408\u306b\u4f34\u3046\u975e\u5e38\u306b\u5c0f\u3055\u306a\u8cea\u91cf\u5909\u5316\u3092\u9ad8\u611f\u5ea6\u306b\u691c\u51fa\u3067\u304d\u308b\u3088\u3046\u306b\u306a\u3063\u305f\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3078\u306e\u4f4e\u5206\u5b50\u533b\u85ac\u54c1\u306e\u7d50\u5408\u3092\u751f\u7269\u7269\u7406\u7684\u306a\u89b3\u70b9\u304b\u3089\u30c7\u30b6\u30a4\u30f3\u3001\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u3067\u304d\u308b\u624b\u6cd5\u3068\u3057\u3066\u3001\u591a\u304f\u306e\u88fd\u85ac\u4f01\u696d\u3001\u7814\u7a76\u6a5f\u95a2\u3067\u63a1\u7528\u3055\u308c\u3066\u3044\u308b[3]\u3002Biacore\u3092\u7528\u3044\u305f\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u306b\u5bfe\u3059\u308b\u4f4e\u5206\u5b50\u5316\u5408\u7269\u9593\u76f8\u4e92\u4f5c\u7528\u89e3\u6790\u306b\u304a\u3044\u3066\u306f\u3001\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\uff08Howstrong?\uff09\u3001\u30ab\u30a4\u30cd\u30c6\u30a3\u30af\u30b9\uff08Howfast?\uff09\u306b\u52a0\u3048\u3066\u3001\u7d50\u5408\u7279\u7570\u6027\uff08Whatpart?\uff09\u3001Thermodynamics\uff08Whythatfast?\uff09\u3068\u3044\u3046\u60c5\u5831\u3092\u53d6\u5f97\u3059\u308b\u4e8b\u304c\u51fa\u6765\u308b\u3002\u3053\u3053\u3067\u306f\u3001\u305d\u308c\u3089\u306e\u60c5\u5831\u3092\u53d6\u5f97\u3059\u308b\u969b\u306e\u30a2\u30c3\u30bb\u30a4\u65b9\u6cd5\u306b\u95a2\u3057\u3066\u8ff0\u3079\u308b\u3002Affinity\u2013Kinetics-ThermodynamicsAffinity1mM100mM10mM1mM100nM10nM1nM100pMEquilibriumHowstrong?2-4-3-2-1034567log(kd)log(ka)1nM10nM100nM1\u03bcM10\u03bcM100\u03bcM1mM100pMRatesofcomplexformationanddissociationHowfast?Kinetics1*1051*1061*107275285295305Temp(K)ka(M-1s-1)ka0.01275285295305kds-1Temp(K)0.10.001kdWhythatfast?VarytemperatureLeadseries-8-SARNewsNo.15(Oct.2008)2-1\uff09\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u3001\u30ab\u30a4\u30cd\u30c6\u30a3\u30af\u30b9\u89e3\u6790SensorgramBindingresponseTimeResponse(RU)baselinebuffersampleassociationbufferdissociationImmobilizedtargetCompoundXBindinglatereportpoint\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u306b\u5bfe\u3059\u308b\u4f4e\u5206\u5b50\u5316\u5408\u7269\u306e\u7d50\u5408\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u3092\u884c\u3046\u969b\u306b\u306f\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3092\u30bb\u30f3\u30b5\u30fc\u30c1\u30c3\u30d7\u3068\u547c\u3070\u308c\u308b\u57fa\u677f\u4e0a\u306b\u56fa\u5b9a\u5316\u3059\u308b\u3002\u86cb\u767d\u8cea\u306e\u6027\u8cea\u306b\u5fdc\u3058\u3066\u69d8\u3005\u306a\u56fa\u5b9a\u5316\u65b9\u6cd5\u3092\u9078\u629e\u3059\u308b\u3053\u3068\u304c\u51fa\u6765\u308b\u3002\u305d\u3057\u3066\u3001\u86cb\u767d\u8cea\u3068\u76f8\u4e92\u4f5c\u7528\u3059\u308b\u4f4e\u5206\u5b50\u5316\u5408\u7269\u3092\u6dfb\u52a0\u3057\u305f\u5834\u5408\u3001\u305d\u306e\u7d50\u5408\/\u89e3\u96e2\u306b\u4f34\u3046\u5206\u5b50\u91cf\u5909\u5316\u306b\u5fdc\u3058\u3066\u30ec\u30b9\u30dd\u30f3\u30b9\u304c\u30ea\u30a2\u30eb\u30bf\u30a4\u30e0\u306b\u5909\u5316\u3059\u308b\uff08Biacore\u3067\u306f\u30ec\u30b9\u30dd\u30f3\u30b9\u3092ResonanceUnit:RU\u3067\u8868\u3059\uff09\u3002\u3053\u306e\u30ec\u30b9\u30dd\u30f3\u30b9\u306e\u7d4c\u6642\u5909\u5316\u3092\u30bb\u30f3\u30b5\u30fc\u30b0\u30e9\u30e0\u3068\u547c\u3076\u304c\u3001\u3053\u306e\u30bb\u30f3\u30b5\u30fc\u30b0\u30e9\u30e0\u306e\u7acb\u3061\u4e0a\u304c\u308a\u3001\u7acb\u3061\u4e0b\u304c\u308a\u304b\u3089\u7d50\u5408\u901f\u5ea6\u5b9a\u6570\uff08ka\uff09\u3001\u89e3\u96e2\u901f\u5ea6\u5b9a\u6570\uff08kd\uff09\u3001\u89e3\u96e2\u5b9a\u6570\uff08kd\/ka=\uff2b\uff24\uff09\u3092\u6c42\u3081\u308b\u4e8b\u304c\u3067\u304d\u308b\u3002\u65e2\u306b\u3001\u30ab\u30a4\u30cd\u30c6\u30a3\u30af\u30b9\u306b\u3088\u308b\u4f4e\u5206\u5b50\u5316\u5408\u7269\u306e\u5206\u985e\u304c\u85ac\u7406\u52b9\u679c\u306e\u4e88\u6e2c\u306b\u6709\u52b9\u3067\u3042\u308b\u3053\u3068\u304c\u5831\u544a\u3055\u308c\u3066\u3044\u308b[4]\u3002\u307e\u305f\u3001\u89e3\u96e2\u304c\u975e\u5e38\u306b\u65e9\u3044\uff08\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u306e\u5f31\u3044\uff09\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u3067\u3042\u3063\u3066\u3082\u3001\u305d\u306e\u6fc3\u5ea6\u3092\u5909\u5316\u3055\u305b\u308b\u3053\u3068\u306b\u3088\u3063\u3066\u89e3\u96e2\u5b9a\u6570\uff08\uff2b\uff24\uff09\u3092\u7b97\u51fa\u3059\u308b\u4e8b\u304c\u3067\u304d\u308b\u3002\u6a2a\u8ef8\u306b\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306e\u6fc3\u5ea6\u3001\u7e26\u8ef8\u306b\u3001\u5404\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u6fc3\u5ea6\u306b\u304a\u3051\u308b\u30bb\u30f3\u30b5\u30fc\u30b0\u30e9\u30e0\u306e\u30ec\u30b9\u30dd\u30f3\u30b9\u3092\u30d7\u30ed\u30c3\u30c8\uff08\u5e73\u8861\u5024\u30d7\u30ed\u30c3\u30c8\uff09\u3059\u308b\u3053\u3068\u306b\u3088\u3063\u3066\u7b97\u51fa\u3059\u308b\u30022-2\uff09\u7d50\u5408\u306e\u7279\u7570\u6027\u8a55\u4fa1\u30bb\u30f3\u30b5\u30fc\u30c1\u30c3\u30d7\u306b\u56fa\u5b9a\u5316\u3057\u305f\u86cb\u767d\u8cea\u306e\u5206\u5b50\u91cf\u3068\u56fa\u5b9a\u5316\u91cf\u3001\u4f4e\u5206\u5b50\u5316\u5408\u7269\u306e\u5206\u5b50\u91cf\u3001\u7d50\u5408\u4fa1\u6570\u306b\u5fdc\u3058\u3066\u3001\u4f4e\u5206\u5b50\u5316\u5408\u7269\u304c\u7d50\u5408\u3057\u305f\u3068\u304d\u306e\u6700\u5927\u7d50\u5408\u30ec\u30b9\u30dd\u30f3\u30b9\uff08Rmax\uff09\u304c\u6c7a\u307e\u308b\u3002\u4f8b\u3048\u3070\u3001\u5206\u5b50\u91cf20kDa\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3068\u5206\u5b50\u91cf200Da\u306e\u4f4e\u5206\u5b50\u5316\u5408\u7269\u304c\uff11\uff1a\uff11\u3067\u7d50\u5408\u3059\u308b\u5834\u5408\u3092\u8003\u3048\u308b\u3002\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u304c7000RU\u56fa\u5b9a\u5316\u3055\u308c\u3066\u3044\u308b\u5834\u5408\u3001\u4f4e\u5206\u5b50\u5316\u5408\u7269\u304c\u7d50\u5408\u3057\u305f\u3068\u304d\u306e\u6700\u5927\u7d50\u5408\u30ec\u30b9\u30dd\u30f3\u30b9\uff08Rmax\uff09\u306f70RU\u3068\u306a\u308b\u3002\u7d50\u5408\u304c\u7279\u7570\u7684\u3067\u3042\u308c\u3070\u3001\u5e73\u8861\u5024\u30d7\u30ed\u30c3\u30c8\u306e\u30ec\u30b9\u30dd\u30f3\u30b9\u306f\u3001Rmax\u306e\u8fd1\u304f\u306b\u53ce\u675f\u3059\u308b\u3002\u975e\u7279\u7570\u7684\u306a\u7d50\u5408\u3067\u306f\u3001\u30d7\u30ed\u30c3\u30c8\u306e\u30ec\u30b9\u30dd\u30f3\u30b9\u306f\u3001Rmax\u3092\u8d85\u3048\u3001\u53ce\u675f\u3057\u306a\u3044\u3053\u3068\u304c\u591a\u3044\u3002\u3053\u306e\u3088\u3046\u306b\u3001\u5e73\u8861\u5024\u30d7\u30ed\u30c3\u30c8\u306b\u3088\u308a\u3001\u3042\u308b\u7a0b\u5ea6\u7d50\u5408\u304c\u7279\u7570\u7684\u306b\u8d77\u3053\u3063\u3066\u3044\u308b\u304b\u3092\u8a55\u4fa1\u3059\u308b\u4e8b\u306f\u53ef\u80fd\u3067\u3042\u308b[3]\u3002Multipleconcentrations:-1001020304050607080-50050100150200250TimesRUG03050100200G03Conc(\u03bcM)1500204060Response(RU)MB1A022004006001000Conc(\u03bcM)08000204060Response(RU)RmaxRmax1:1bindingsuperstoichiometricbindersphysiologicalsiteNonspec.site++==subtractnonspecificbinder++==specificbindersubtractNativeandblockedtargetimmobilizedonadjacentspots.Signalfromblockedtargetsubtracted\u4e00\u65b9\u3067\u3001\u3088\u308a\u751f\u5316\u5b66\u7684\u306a\u624b\u6cd5\u3092\u7528\u3044\u3066\u30a2\u30c3\u30bb\u30a4\u7cfb\u3092\u69cb\u7bc9\u3059\u308b\u4e8b\u306b\u3088\u308a\u3001\u4f4e\u5206\u5b50\u5316\u5408\u7269\u304c\u4e88\u6e2c\u3055\u308c\u308b\u7d50\u5408\u30dd\u30b1\u30c3\u30c8\u306b\u7d50\u5408\u3057\u3066\u3044\u308b\u304b\u3069\u3046\u304b\u3092\u3001\u3088\u308a\u76f4\u63a5\u7684\u306b\u7279\u5b9a\u3059\u308b\u4e8b\u304c\u51fa\u6765\u308b\u3002\u3053\u3053\u306b\u306f\u3001\u91ce\u751f\u578b\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3068\u3001\u305d\u306e\u7d50\u5408\u30dd\u30b1\u30c3\u30c8\u3092\u30d6\u30ed\u30c3\u30af\u3057\u305f\u5909\u7570\u4f53\u3067\u306e\u7279-9-SARNewsNo.15(Oct.2008)\u7570\u6027\u306e\u8a55\u4fa1\u4f8b\u3092\u793a\u3059\u3002Biacore\u306e\u30bb\u30f3\u30b5\u30fc\u30c1\u30c3\u30d7\u306b\u306f\u3001\u3053\u3053\u306b\u793a\u3059\u3088\u3046\u306b\u8907\u6570\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3092\u30d1\u30e9\u30ec\u30eb\u306b\u56fa\u5b9a\u5316\u3067\u304d\u308b\u3002\u3053\u308c\u3089\u306e2\u7a2e\u985e\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u306b\u5bfe\u3057\u3066\u540c\u4e00\u306e\u4f4e\u5206\u5b50\u5316\u5408\u7269\u3092\u7d50\u5408\u3055\u305b\u308b\u4e8b\u306b\u3088\u308a\u3001\u76ee\u7684\u306e\u7d50\u5408\u30dd\u30b1\u30c3\u30c8\u306b\u7279\u7570\u7684\u306b\u7d50\u5408\u3059\u308b\u5316\u5408\u7269\u3092\u7c21\u4fbf\u306b\u9078\u629e\u3059\u308b\u3053\u3068\u304c\u51fa\u6765\u308b[3]\u30022-3\uff09\u71b1\u529b\u5b66\u7684\u8a55\u4fa1\u6e29\u5ea6\u5909\u5316\u306b\u4f34\u3046\u3001\u7d50\u5408\u901f\u5ea6\u5b9a\u6570\uff08ka\uff09\u3001\u89e3\u96e2\u901f\u5ea6\u5b9a\u6570\uff08kd\uff09\u3001\u89e3\u96e2\u5b9a\u6570\uff08\uff2b\uff24\uff09\u306e\u5024\u3088\u308a\u3001\u7d50\u5408\u306e\u9077\u79fb\u72b6\u614b\u53ca\u3073\u5e73\u8861\u72b6\u614b\u306e\u30a8\u30f3\u30bf\u30eb\u30d4\u30fc\u5909\u5316\uff08\u22bfH\uff09\u3001\u30a8\u30f3\u30c8\u30ed\u30d4\u30fc\u5909\u5316\uff08\uff34\u22bfS\uff09\u3001\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u5909\u5316\uff08\u22bfG\uff09\u3092\u6c42\u3081\u308b\u4e8b\u304c\u51fa\u6765\u308b\u3002\u3053\u308c\u3089\u306e\u60c5\u5831\u306f\u3001\u305d\u306e\u7d50\u5408\u306b\u95a2\u4e0e\u3057\u3066\u3044\u308b\u6c34\u7d20\u7d50\u5408\u3001\u758e\u6c34\u7d50\u5408\u3001\u69cb\u9020\u5909\u5316\u306e\u60c5\u5831\u3092\u4e0e\u3048\u3066\u304f\u308c\u308b\u3002\u3053\u308c\u3089\u306e\u7279\u7570\u7684\u306a\u6b8b\u57fa\u3084\u69cb\u9020\u8981\u56e0\u306b\u57fa\u3065\u304f\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\uff08SAR\uff09\u306fFBDD\u306e\u57fa\u76e4\u3068\u306a\u308b\u60c5\u5831\u3067\u3042\u308b\u304c\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u306e\u5909\u7570\u4f53\u306e\u89e3\u6790\u3084\u3001\u7570\u306a\u308b\u4f4e\u5206\u5b50\u5316\u5408\u7269\u306e\u89e3\u6790\u306a\u3069\u3068\u7d44\u307f\u5408\u308f\u305b\u308b\u3053\u3068\u306b\u3088\u308a\u3001\u3053\u308c\u3089\u306e\u60c5\u5831\u3092\u53d6\u5f97\u3059\u308b\u4e8b\u304c\u53ef\u80fd\u3067\u3042\u308b\u3002\u4f8b\u3048\u3070\u3001\u540c\u69d8\u306e\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u3092\u6301\u3063\u305f\u7d50\u5408\u3067\u3042\u3063\u3066\u3082\u3001\u6c34\u7d20\u7d50\u5408\u304c\u898f\u5b9a\u3059\u308b\u7d50\u5408\u306a\u306e\u304b\u3001\u758e\u6c34\u7684\u7d50\u5408\u304c\u898f\u5b9a\u3059\u308b\u7d50\u5408\u306a\u306e\u304b\u306b\u3088\u3063\u3066\u3001\u22bfG\u3092\u4e0e\u3048\u308b\u22bf\uff28\u3001\uff0d\uff34\u22bf\uff33\u306e\u69cb\u6210\u6bd4\u306f\u5168\u304f\u7570\u306a\u308b\u3002FBDD\u3067\u306f\u7279\u306b\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u306e\u30dd\u30b1\u30c3\u30c8\u306b\u7279\u7570\u7684\u306b\u7d50\u5408\u3059\u308b\u3001\u6c34\u7d20\u7d50\u5408\u99c6\u52d5\u578b\u306e\u30b9\u30ab\u30d5\u30a9\u30fc\u30eb\u30c9\u306e\u9078\u629e\u304c\u91cd\u8981\u3067\u3042\u308b\u3068\u3044\u308f\u308c\u3066\u3044\u308b\u3002\u3053\u306e\u3088\u3046\u306b\u3001\u5358\u306a\u308b\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u306e\u307f\u3067\u306f\u306a\u304f\u3001\u71b1\u529b\u5b66\u7684\u30d1\u30e9\u30e1\u30fc\u30bf\u307e\u3067\u5206\u89e3\u3059\u308b\u3053\u3068\u3067\u3001\u305d\u306e\u5316\u5408\u7269\u304c\u771f\u306b\u6c42\u3081\u308b\u3082\u306e\u306a\u306e\u304b\u3092\u7406\u89e3\u3059\u308b\u4e8b\u304c\u51fa\u6765\u308b\u3002Biacore\u3092\u7528\u3044\u305f\u6e2c\u5b9a\u306b\u304a\u3044\u3066\u306f\u3001\u5c11\u91cf\u306e\u30b5\u30f3\u30d7\u30eb\u3067\u6e2c\u5b9a\u304c\u51fa\u6765\u308b\u4e8b\u3001\u9077\u79fb\u72b6\u614b\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u5909\u5316\u3092\u8ffd\u3046\u3053\u3068\u304c\u51fa\u6765\u308b\u306a\u3069\u3001\u30ab\u30ed\u30ea\u30fc\u30e1\u30fc\u30bf\u30fc\u306b\u5bfe\u3059\u308b\u30e1\u30ea\u30c3\u30c8\u3082\u3042\u308b\u3002Biacore\u3092\u7528\u3044\u305f\u71b1\u529b\u5b66\u7684\u6e2c\u5b9a\u306e\u8a73\u7d30\u306b\u95a2\u3057\u3066\u306f\u69d8Freeenergy(G)\u0394G(\u221d1\/KD)Kinetics-basedthermodynamicsprovideshigherresolutiondata\u0394Gon(\u221d1\/kon)\u0394Goff(\u221d1\/koff)KineticsresolvesfreeenergiesseparatelyforbindinganddissociationInteractioncoordinate\u0394G=\u0394H-T\u0394S\u0394Gdependsonchangesinbothenthalpy(H)andentropy(S)\u0394G\u0394H-T\u0394SA\u0394GvaluecanresultfromdifferentcombinationsofenthalpyandentropyLabel-freecharacterizationresolvesthesedifferencesD+TDT*DTD=drugT=target\u3005\u306a\u8ad6\u6587\u3067\u5831\u544a\u3055\u308c\u3066\u3044\u308b\u305f\u3081\u3001\u3053\u3053\u3067\u306f\u7701\u7565\u3059\u308b[5]\u30023.FBDD\u306b\u304a\u3051\u308bSPR\u306e\u5f79\u5272\u524d\u7ae0\u3067\u793a\u3057\u305f\u3088\u3046\u306b\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3068\u4f4e\u5206\u5b50\u5316\u5408\u7269\u306e\u6e2c\u5b9a\u3078\u306eBiacore\u3067\u306e\u30a2\u30d7\u30ed\u30fc\u30c1\u306b\u3088\u308a\u3001\u76f8\u4e92\u4f5c\u7528\u306e\u69d8\u3005\u306a\u751f\u7269\u7269\u7406\u7684\u306a\u73fe\u8c61\u3092\u77ed\u6642\u9593\u3001\u4f4e\u30b3\u30b9\u30c8\u3067\u78ba\u8a8d\u3067\u304d\u308b\u3002\u3053\u308c\u306f\u3001\u69cb\u9020\u60c5\u5831\u3092\u57fa\u306b\u30b9\u30ab\u30d5\u30a9\u30fc\u30eb\u30c9\u3092\u8a2d\u8a08\u3059\u308bFBDD\u306e\u624b\u6cd5\u306b\u306f\u975e\u5e38\u306b\u6709\u52b9\u306a\u60c5\u5831\u3067\u3042\u308b[2,3]\u30023-1\uff09\u30d5\u30a3\u30eb\u30bf\u30fc\u3068\u3057\u3066\u306eBiacore\u306e\u5f79\u5272\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306f\u3001\u305d\u306e\u6027\u8cea\u4e0a\u3001\u5206\u5b50\u91cf\u304c150Da\uff5e300Da\u3068\u5c0f\u3055\u304f\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3068\u306e\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u306f\u6570\u5341\u03bcM\uff5e\u6570\uff4dM\u3068\u5f31\u3044\u3002\u305d\u308c\u3086\u3048\u3001\u85ac\u7406\u6d3b\u6027\u3092\u793a\u3055\u306a\u3044\u3082\u306e\u304c\u307b\u3068\u3093\u3069\u3067\u3042\u308b\u3002\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u304c\u5f31\u3044\u3068\u3044\u3046\u3053\u3068\u306f\u3001\u7d50\u5408\u306b\u9ad8\u6fc3\u5ea6\u306e\u4f4e\u5206\u5b50\u5316\u5408\u7269\u3092\u4f7f\u7528\u3059\u308b\u305f\u3081\u3001\u64ec\u967d\u6027\u304c\u5897\u52a0\u3059\u308b\u3002\u3088\u3063\u3066\u3001\u7d50\u5408\u7279\u7570\u6027\u3092\u898b\u5206\u3051\u308b\u624b\u6cd5\u304c\u5fc5\u8981\u3068\u306a\u308b\u3002\u307e\u305f\u3001\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u6570\u306e\u70b9\u304b\u3089\u8003\u3048\u308b\u3068\u3001HTS\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u3068\u306a\u308a\u3046\u308b\u30b1\u30df\u30ab\u30eb\u30b9\u30da\u30fc\u30b9\u304c1060\u3068\u8a00\u308f\u308c\u308b\u4e2d\u3001FBDD\u306e\u5bfe\u8c61\u306b\u306a\u308b-10-SARNewsNo.15(Oct.2008)\u5316\u5408\u7269\u306f\u591a\u304f\u3066107\u7a0b\u5ea6\u3067\u3042\u308b\u3068\u3044\u308f\u308c\u3066\u3044\u308b\u3002\u3086\u3048\u306b\u3001\u5c11\u306a\u3044\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u3067\u30ea\u30fc\u30c9\u5019\u88dc\u3092\u30ab\u30d0\u30fc\u3067\u304d\u308b\u3002\u3053\u308c\u304c\u3001FBDD\u306e\u5927\u304d\u306a\u30e1\u30ea\u30c3\u30c8\u306e\u4e00\u3064\u3067\u3042\u308b\u3002\u5b9f\u969b\u306e\u5275\u85ac\u306e\u73fe\u5834\u3067\u306f\u3001\u6570\u5343\u5316\u5408\u7269\u304c\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u306e\u6570\u3068\u306a\u3063\u3066\u3044\u308b\u3002\u3053\u308c\u3089\u306e\u30e9\u30a4\u30d6\u30e9\u30ea\u30fc\u304b\u3089\u3001\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u306e\u4e88\u6e2c\u3055\u308c\u308b\u30dd\u30b1\u30c3\u30c8\u7279\u7570\u7684\u306b\u7d50\u5408\u3059\u308b\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u3092\u9078\u629e\u3059\u308b\u306e\u304c\u3001FBDD\u306e\u6700\u521d\u306e\u4ed5\u4e8b\u3068\u306a\u308b\u3002\u3053\u306e\u6700\u521d\u306e\u7d5e\u308a\u8fbc\u307f\u306bBiacore\u304c\u7528\u3044\u3089\u308c\u308b\u3002\u3053\u3053\u306bBicore\u3092\u53d6\u308a\u5165\u308c\u305fFBDD\u306e\u4e00\u3064\u306e\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u3092\u793a\u3059\u3002Fragmentlibrary(~2000)orlibrarysubsetFilterusinglabel-freeassay(Biacore\u2122)HitsforX-raystructuralanalysisStructuralanalysisbycomputationalchemistrySelectavailablecompoundsorsynthesizenewones\u5b9f\u969b\u306b\u3001\u4e0a\u8a18\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u3067Biacore\u3092\u7528\u3044\u305f\u5834\u5408\u3001\u6b21\u306e\u30b9\u30c6\u30c3\u30d7\u3067\u3042\u308b\uff38\u7dda\u7d50\u6676\u69cb\u9020\u89e3\u6790\u306e\u30d2\u30c3\u30c8\u7387\u306f\u683c\u6bb5\u306b\u5411\u4e0a\u3059\u308b\u3002\u4e00\u4f8b\u3068\u3057\u3066\u3001Maybridgelibrary\u306e500\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306b\u5bfe\u3057\u3066Thrombin\u3092\u30bf\u30fc\u30b2\u30c3\u30c8\u86cb\u767d\u8cea\u3068\u3057\u305f\u969b\u306eBiacore\u3067\u306e\u8a55\u4fa1\u7d50\u679c\u3092\u793a\u3059[3]\u30022\u30b9\u30c6\u30c3\u30d7\u76ee\u306b\u6ce8\u76ee\u3059\u308b\u3068\u3001\u3053\u3053\u3067\u306fBiacoreA100\u3092\u7528\u3044\u7279\u7570\u7684\u306aThrombin\u3078\u306e\u7d50\u5408\u3092\u52b9\u679c\u7684\u306b\u5b9f\u65bd\u3059\u305f\u3081\u3001\u30bb\u30f3\u30b5\u30fc\u30c1\u30c3\u30d7\u4e0a\u306e5\u30b9\u30dd\u30c3\u30c8\u3067\u306e\u540c\u6642\u89e3\u6790\u3092\u884c\u3063\u3066\u3044\u308b\u3002500fragments480fragments20insoluble462fragments18sticky26fragmentsDissolveinDMSOPrescreenat0.9mM436belowcutoff(<5RU)SecondaryScreens(e.g.,X-ray)0-to0.9mMConcentrationseriesscreenBlockedGSTthrombinThrombinBlankdextranCarbonicanhydraseSpot12345\u7d50\u679c\u3068\u3057\u3066\u3001Biacore\u3092\u7528\u3044\u308b\u4e8b\u306b\u3088\u308a\u6eb6\u89e3\u6027\u306e\u3042\u308b480\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306e\u3046\u3061\u3001\u69cb\u9020\u89e3\u6790\u306b\u6301\u3061\u8fbc\u3080\u30d2\u30c3\u30c8\u5316\u5408\u7269\u309226\u5316\u5408\u7269\u306b\u307e\u3067\u7d5e\u308b\u3053\u3068\u304c\u51fa\u6765\u305f\u3002\u6ce8\u76ee\u3059\u3079\u304d\u306f\u30011:1\u3067\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u7d50\u5408\u3057\u3066\u3044\u306a\u3044\u3001Thrombin\u306e\u30d0\u30a4\u30f3\u30c7\u30a3\u30f3\u30b0\u30b5\u30a4\u30c8\u3078\u7279\u7570\u7684\u306b\u7d50\u5408\u3057\u3066\u3044\u306a\u3044\u3001\u6fc3\u5ea6\u4f9d\u5b58\u6027\u304c\u898b\u3089\u308c\u306a\u3044\u306a\u3069\u306e\u3001\u975e\u7279\u7570\u7684\u306a\u7d50\u5408\u3092\u793a\u3059\u3082\u306e\u304c\u52b9\u679c\u7684\u306b\u9664\u304b\u308c\u3066\u3044\u308b\u4e8b\u3067\u3042\u308b\u3002\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u304c\u5f31\u304f\u3001\u9ad8\u6fc3\u5ea6\u3067\u306e\u30a2\u30c3\u30bb\u30a4\u304c\u8981\u6c42\u3055\u308c\u308bFBDD\u306b\u304a\u3044\u3066\u306f\u3001\u3053\u306e\u3088\u3046\u306a\u64ec\u967d\u6027\u3092\u52b9\u7387\u7684\u306b\u5224\u65ad\u3059\u308b\u624b\u6cd5\u306f\u5fc5\u9808\u3067\u3042\u308b\u3068\u8003\u3048\u3089\u308c\u308b\u3002\u3053\u306e\u7d50\u679c\u304c\u793a\u3059\u3088\u3046\u306b\u3001Biacore\u3092\u7528\u3044\u308b\u3053\u3068\u3067\u3001\u69cb\u9020\u89e3\u6790\u3078\u6301\u3061\u8fbc\u3080\u5316\u5408\u7269\u3092\u52b9\u679c\u7684\u306b\u7d5e\u8fbc\u307f\u3001\u69cb\u9020\u89e3\u6790\u306e\u30d2\u30c3\u30c8\u7387\u3092\u683c\u6bb5\u306b\u4e0a\u3052\u308b\u4e8b\u304c\u51fa\u6765\u308b\u3068\u8003\u3048\u3089\u308c\u308b\u3002-11-SARNewsNo.15(Oct.2008)-12-3-2\uff09\u30ea\u30fc\u30c9\u30aa\u30d7\u30c6\u30a3\u30de\u30a4\u30bc\u30fc\u30b7\u30e7\u30f3\u3068\u3057\u3066\u306eBiacore\u306e\u5f79\u5272\u524d\u8ff0\u306e\u30b9\u30c6\u30c3\u30d7\u3092\u7d4c\u3066\u9078\u3070\u308c\u305f\u30b9\u30ab\u30d5\u30a9\u30fc\u30eb\u30c9\u306f\u3001in-silico\u306e\u60c5\u5831\u3084X\u7dda\u7d50\u6676\u69cb\u9020\u89e3\u6790\u306b\u3088\u308b\u30d0\u30a4\u30f3\u30c7\u30a3\u30f3\u30b0\u30b5\u30a4\u30c8\u306e\u60c5\u5831\u306b\u57fa\u3065\u304d\u3001Linking\u3001Growing\u3001Merging\u3068\u3044\u3063\u305f\u65b9\u6cd5\u3067\u69cb\u9020\u306e\u6700\u9069\u5316\u3092\u884c\u3046[1,2]\u3002\u3053\u3053\u306b\u306f\u3001\u6709\u6a5f\u5316\u5b66\u5408\u6210\u306e\u529b\u304c\u975e\u5e38\u306b\u5927\u304d\u306a\u30a6\u30a7\u30a4\u30c8\u3092\u793a\u3059\u304c\u3001\u5408\u6210\u3057\u305f\u5316\u5408\u7269\u306e\u7279\u7570\u6027\u3001\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30fc\u3092\u8fc5\u901f\u304b\u3064\u9ad8\u3044\u7cbe\u5ea6\u3067\u8a55\u4fa1\u3059\u308b\u5fc5\u8981\u304c\u3042\u308b\u3002\u3053\u3053\u3067\u3082\u3001Biacore\u304c\u5927\u304d\u306a\u52b9\u679c\u3092\u767a\u63ee\u3059\u308b\u3002\u3053\u306e\u30b9\u30c6\u30c3\u30d7\u306b\u304a\u3044\u3066\u306f\u3001\u5148\u8ff0\u306e\u69d8\u306a\u201c\u30d5\u30a3\u30eb\u30bf\u30fc\u201d\u3068\u3057\u3066\u306e\u76ee\u7684\u3067\u306f\u306a\u304f\u3001\u5408\u6210\u3057\u305f\u30ea\u30fc\u30c9\u5316\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esusingX-raycrystallographyscreening.Nat.Biotechnol.(2000).18,1105-1108.[6]Pflugrath,J.W.etal.ACTOR:automatedcrystaltransport,orientationandretrieval.ActaCryst.(2002).A58,c72.[7]Abad-Zapatero,C.Notesofaproteincrystallographer:mynightswithACTOR.ActaCryst.(2005).D61,1432-1435.[8]Polinsky,A.High-speedchemistrylibraries:assessmentofdrug-likeness.ThePracticeofMedicinalChemistry(2nd),147.SARNewsNo.15(Oct.2008)\/\/\/\/\/CuttingEdge\/\/\/\/\/FBDD\u306e\u305f\u3081\u306einsilico\u30a2\u30d7\u30ed\u30fc\u30c1\u682a\u5f0f\u4f1a\u793e\u30d5\u30a1\u30eb\u30de\u30c7\u30b6\u30a4\u30f3\u5275\u85ac\u7814\u7a76\u90e8\u9ad8\u6a4b\u74061.\u8a08\u7b97\u6280\u8853\u306e2\u3064\u306e\u9069\u7528\u5834\u9762\u5206\u5b50\u8a2d\u8a08\u3084\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306f\u3001FBDD\u306b2\u3064\u306e\u6bb5\u968e\u3067\u5bc4\u4e0e\u3057\u5f97\u308b\u30021\u3064\u306f\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u306b\u304a\u3044\u3066\u3001X\u7dda\u3001SPR\u53ca\u3073NMR\u306a\u3069\u306b\u4f9b\u3059\u308b\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30e9\u30a4\u30d6\u30e9\u30ea\u3092\u4e8b\u524d\u306b\u7d5e\u308a\u8fbc\u3080\u3053\u3068\u306b\u3088\u3063\u3066\u3001\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u306b\u304b\u304b\u308b\u671f\u9593\u3084\u8cbb\u7528\u3092\u7bc0\u6e1b\u3059\u308b\u3053\u3068\u304c\u671f\u5f85\u3055\u308c\u308b\u3002\u3082\u30461\u3064\u306f\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u304b\u3089\u30ea\u30fc\u30c9\u3078\u306e\u6700\u9069\u5316\u306e\u904e\u7a0b\u306b\u304a\u3051\u308b\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30fb\u30a8\u30dc\u30ea\u30e5\u30fc\u30b7\u30e7\u30f3\u3084\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30fb\u30ea\u30f3\u30ad\u30f3\u30b0\u306a\u3069\u3092\u52b9\u7387\u5316\u3059\u308b\u3053\u3068\u3067\u3042\u308b\u30022.\u5f31\u3044\u76f8\u4e92\u4f5c\u7528\u3092\u53cd\u6620\u3057\u305f\u30b9\u30b3\u30a2\u95a2\u6570\u4e0a\u8a18\u306e\u3044\u305a\u308c\u306e\u904e\u7a0b\u306b\u304a\u3044\u3066\u3082\u3001\u5206\u5b50\u8a2d\u8a08\u306b\u306f\u5f93\u6765\u3088\u308a\u9ad8\u3044\u7cbe\u5ea6\u304c\u8981\u6c42\u3055\u308c\u308b\u3002\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u306f\u5c11\u6570\u306e\u76f8\u4e92\u4f5c\u7528\u8981\u7d20\u3057\u304b\u6301\u305f\u306a\u3044\u305f\u3081\u3001CH-\u03c0,Cl-\u03c0\u76f8\u4e92\u4f5c\u7528\u3084\u30cf\u30ed\u30b2\u30f3\u30dc\u30f3\u30c9\u306a\u3069\u306e\u5f31\u3044\u76f8\u4e92\u4f5c\u7528\u3092\u542b\u3081\u305f\u500b\u3005\u306e\u76f8\u4e92\u4f5c\u7528\u3092\u6b63\u78ba\u306b\u518d\u73fe\u3059\u308b\u3053\u3068\u304c\u5fc5\u8981\u3068\u8003\u3048\u3089\u308c\u308b\u3002\u3053\u308c\u3089\u306e\u5f31\u3044\u76f8\u4e92\u4f5c\u7528\u306f\u5f93\u6765\u306e\u5206\u5b50\u529b\u5834\u306b\u306f\u53cd\u6620\u3055\u308c\u3066\u304a\u3089\u305a\u3001\u5206\u5b50\u8ecc\u9053\u8a08\u7b97\u306b\u3088\u3063\u3066\u521d\u3081\u3066\u8003\u616e\u3059\u308b\u3053\u3068\u304c\u51fa\u6765\u308b\u3002\u73fe\u5728\u958b\u767a\u3068\u666e\u53ca\u304c\u9032\u307f\u3064\u3064\u3042\u308b\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8MO\u6cd5\u306a\u3069\u306b\u671f\u5f85\u304c\u304b\u304b\u308b\u3002\u4e00\u65b9\u3067\u3001\u77ed\u6642\u9593\u3067\u624b\u8efd\u306b\u4f7f\u3048\u308b\u30c9\u30c3\u30ad\u30f3\u30b0\u30d7\u30ed\u30b0\u30e9\u30e0\u306a\u3069\u306b\u3053\u306e\u3088\u3046\u306a\u5f31\u3044\u76f8\u4e92\u4f5c\u7528\u3092\u53cd\u6620\u3059\u308b\u3053\u3068\u3082\u5fc5\u8981\u3067\u3042\u308b\u3002\u305d\u3053\u3067\u6211\u3005\u306f\u3001\u53e4\u5178\u7684\u306a\u5206\u5b50\u529b\u5834\u306e\u5ef6\u9577\u4e0a\u3067\u3053\u308c\u3089\u306e\u76f8\u4e92\u4f5c\u7528\u3092\u5c0e\u5165\u3057\u305f\u30c9\u30c3\u30ad\u30f3\u30b0\u30b9\u30b3\u30a2\u95a2\u6570\u3092\u958b\u767a\u3057\u305f\u3002\u3053\u306e\u30b9\u30b3\u30a2\u95a2\u6570\u306f\u3001vdW\u9805\u3001\u30af\u30fc\u30ed\u30f3\u9805\u3001\u6eb6\u5a92\u9732\u51fa\u8868\u9762\u7a4d\u3001\u56de\u8ee2\u7d50\u5408\u6570\u306e\u5404\u9805\u3068\u3001\u4e0a\u8a18\u306e\u5f31\u3044\u76f8\u4e92\u4f5c\u7528\u3092\u53cd\u6620\u3059\u308b\u9805\u304b\u3089\u6210\u308b\u3002\u5f31\u3044\u76f8\u4e92\u4f5c\u7528\u306e\u9805\u306f\u95a2\u6570\u5f62\u3068\u3057\u3066\u3001\u30ec\u30ca\u30fc\u30c9\u30b8\u30e7\u30fc\u30f3\u30ba\u578b\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u95a2\u6570\u3092\u4f7f\u7528\u3059\u308b\u3002\u305f\u3060\u3057\u3001\u76f8\u4e92\u4f5c\u7528\u306e\u65b9\u5411\u6027\u3092\u4e0e\u3048\u308b\u305f\u3081\u306b\u3001\u76f8\u4e92\u4f5c\u7528\u3059\u308b\u539f\u5b50\u306e\u96a3\u306e\u539f\u5b50\u3092\u4e2d\u5fc3\u3068\u3059\u308b\u53cd\u767a\u529b\u3092\u5fc5\u8981\u306b\u5fdc\u3058\u3066\u52a0\u3048\u305f\u3002\u3053\u308c\u3089\u5404\u9805\u306e\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u3001\u8907\u5408\u4f53\u7d50\u6676\u69cb\u9020\u306b\u57fa\u3065\u3044\u3066\u6c7a\u5b9a\u3057\u305f\u3002\u5177\u4f53\u7684\u306b\u306f\u3001\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u3092\u4e2d\u5fc3\u3068\u3059\u308b31\u500b\u306e\u8907\u5408\u4f53\u7d50\u6676\u69cb\u9020\u306b\u3064\u3044\u3066\u3001\u7570\u306a\u308b\u30d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306e\u8b1b\u6f14\u3067\u306f\uff0cGPCR\u3092\u4e2d\u5fc3\u306b\uff0c\u819c\u86cb\u767d\u8cea\u7acb\u4f53\u69cb\u9020\u304c\u8b70\u8ad6\u3055\u308c\u307e\u3057\u305f\uff0e\u6ce8\u76ee\u3059\u3079\u304d\u306f\uff0c\u8b1b\u6f14\u306e2\u65e5\u307b\u3069\u524d\u306bweb\u4e0a\u306b\u767a\u8868\u3055\u308c\u305f\uff0c\u5275\u85ac\u7814\u7a76\u8005\u304c\u6e07\u671b\u3059\u308b\u307e\u3055\u306b\u6700\u65b0\u306eGPCR\u7d50\u6676\u69cb\u9020\u89e3\u6790\u60c5\u5831(ligand-freeopsin)\u304c\uff0c\u9038\u65e9\u304f\u767a\u8868\u306b\u76db\u308a\u8fbc\u307e\u308c\u305f\u3053\u3068\u3067\u3057\u305f\uff0e\u3053\u306e\u5206\u91ce\u306e\u5927\u304d\u306a\u3046\u306d\u308a\u3068\u5275\u85ac\u3078\u306e\u30a4\u30f3\u30d1\u30af\u30c8\u304c\u75db\u611f\u3055\u308c\u307e\u3057\u305f\uff0e\u6885\u5c71\u79c0\u660e\u5148\u751f\u306e\u8b1b\u6f14\u3067\u306f\uff0cPDB\u306b\u84c4\u7a4d\u3055\u308c\u305f\u65e2\u5b58\u8907\u5408\u4f53\u69cb\u9020\u3092\u6700\u5927\u9650\u6d3b\u7528\u3057\u3066\uff0c\u7d50\u5408\u69cb\u9020\u672a\u77e5\u306e\u5316\u5408\u7269\u306edocking\u3092\u884c\u3046\u65b0\u898f\u65b9\u6cd5\u8ad6\u306e\u7d39\u4ecb\u304c\u3042\u308a\u307e\u3057\u305f\uff0e\u4eca\u5f8c\uff0c\u66f4\u306b\u86cb\u767d\u8cea\uff0d\u5316\u5408\u7269\u8907\u5408\u4f53\u69cb\u9020\u306e\u5831\u544a\u304c\u5897\u3059\u306b\u3064\u308c\uff0c\u7d50\u5408\u69d8\u5f0f\u306b\u95a2\u308f\u308b\u77e5\u8b58\u30fb\u60c5\u5831\u3092\u3044\u304b\u306b\u6d3b\u304b\u3059\u304b\u304c\u9375\u3068\u306a\u308a\uff0c\u672c\u65b9\u6cd5\u8ad6\u304b\u3089\u306e\u6210\u679c\u304c\u671f\u5f85\u3055\u308c\u307e\u3059\uff0e\u672b\u7b46\u306a\u304c\u3089\uff0c\u6700\u65b0\u4e14\u3064\u6709\u76ca\u306a\u3054\u8b1b\u6f14\u3092\u3044\u305f\u3060\u3044\u305f\u8b1b\u5e2b\u306e\u5148\u751f\u65b9\uff0c\u3054\u591a\u5fd9\u306e\u4e2d\u3054\u53c2\u52a0\u3044\u305f\u3060\u3044\u305f\u7686\u69d8\uff0c\u958b\u50ac\u306e\u3054\u652f\u63f4\u30fb\u3054\u6559\u793a\u3092\u3044\u305f\u3060\u3044\u305f\u7686\u69d8\u306b\uff0c\u5fc3\u3088\u308a\u304a\u793c\u7533\u3057\u4e0a\u3052\u307e\u3059\uff0e-21-SARNewsNo.15(Oct.2008)\/\/\/\/\/Activities\/\/\/\/\/SARPromotionAward\u5e73\u621020\u5e74\u5ea6\u53d7\u8cde\u8005\uff08\u5eb6\u52d9\u5e79\u4e8b\u65b0\u6f5f\u85ac\u79d1\u5927\u5b66\u7c73\u7530\u7167\u4ee3\uff09\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u90e8\u4f1a\u3067\u306f\uff0c\u5e73\u621017\u5e74\u5ea6\u3088\u308a\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u7814\u7a76\u306e\u767a\u5c55\u3092\u4fc3\u9032\u3059\u308b\u305f\u3081\u306e\u4e8b\u696d\u3068\u3057\u3066\u5f53\u8a72\u5236\u5ea6\u3092\u8a2d\u3051\uff0c\u90e8\u4f1a\u54e1\u306e\u56fd\u5916\u3067\u306e\u7814\u7a76\u767a\u8868\u3092\u5968\u52b1\u3057\u3066\u3044\u308b\uff0e\u5e73\u621020\u5e74\u5ea6\u306f\uff0c6\u670820\u65e5\u306e\u5e38\u4efb\u5e79\u4e8b\u4f1a\u306b\u304a\u3044\u3066\uff0c\u53d7\u8cde\u8005\u3092\u6b21\u306e1\u540d\u306b\u6c7a\u5b9a\u3057\u305f\uff0e\u6c0f\u540d\u6d45\u7530\u76f4\u4e5f\uff08\u3042\u3055\u3060\u306a\u304a\u3084\uff09\u6240\u5c5e\u4eac\u90fd\u5927\u5b66\u5927\u5b66\u9662\u30fb\u85ac\u5b66\u7814\u7a76\u79d1\u30fb\u533b\u85ac\u54c1\u7406\u8ad6\u8a2d\u8a08\u5b66\u8b1b\u5ea7\uff08\u535a\u58eb\u524d\u671f\u8ab2\u7a0b2\u5e74\uff09\u53c2\u52a0\u5b66\u4f1a\u540dThe17thEuropeanSymposiumonQuantitativeStructure-ActivityRelationships\u958b\u50ac\u671f\u65e52008\u5e749\u670821\u65e5\uff5e2008\u5e749\u670826\u65e5\u958b\u50ac\u5834\u6240\u30b9\u30a6\u30a7\u30fc\u30c7\u30f3\u3001\u30a6\u30d7\u30b5\u30e9\u6f14\u984cAnalysisofinteractionsbetweenCaseinKinase2(CK2)anditsligandusingFragmentMolecularOrbitalmethod\uff08\u30dd\u30b9\u30bf\u30fc\u767a\u8868\uff09\u53d7\u8cde\u8005\u306e\u5831\u544a\u306f\uff0c\u6b21\u53f7\u306eSARNews\u306b\u63b2\u8f09\u3055\u308c\u308b\u4e88\u5b9a\u3067\u3042\u308b\uff0e-22-SARNewsNo.15(Oct.2008)\/\/\/\/\/Activities\/\/\/\/\/\uff1c\u4f1a\u544a\uff1e\u7b2c36\u56de\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\u65e5\u6642\u5e73\u621020\u5e7411\u67082\u65e5\uff08\u65e5\uff09\u30fb3\u65e5\uff08\u6708\uff09\u4f1a\u5834\u795e\u6238\u56fd\u969b\u4f1a\u8b70\u5834\uff08\u795e\u6238\u5e02\u4e2d\u592e\u533a\u6e2f\u5cf6\u4e2d\u753a6-9-1\uff09\u4e3b\u50ac\u65e5\u672c\u85ac\u5b66\u4f1a\u65e5\u672c\u85ac\u5b66\u4f1a\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u90e8\u4f1a\u5171\u50ac\u65e5\u672c\u5316\u5b66\u4f1a\uff0c\u65e5\u672c\u8fb2\u82b8\u5316\u5b66\u4f1a\uff0c\u65e5\u672c\u5206\u6790\u5316\u5b66\u4f1a\uff0c\u65e5\u672c\u8fb2\u85ac\u5b66\u4f1a\u5354\u8cdb\u65e5\u672c\u85ac\u5b66\u4f1a\u533b\u85ac\u5316\u5b66\u90e8\u4f1a\uff0c\u65e5\u672c\u85ac\u5b66\u4f1a\u85ac\u5b66\u7814\u7a76\u30d3\u30b8\u30e7\u30f3\u90e8\u4f1a\u61c7\u89aa\u4f1a11\u67082\u65e5\uff08\u65e5\uff09\u9023\u7d61\u5148\u3012565-0871\u5439\u7530\u5e02\u5c71\u7530\u4e181-6\u5927\u962a\u5927\u5b66\u5927\u5b66\u9662\u85ac\u5b66\u7814\u7a76\u79d1\u9ad8\u6728\u9054\u4e5fTEL\/FAX06-6879-8243\u53c9\u306f8240E-mailsar36@phs.osaka-u.ac.jp\u7b2c1\u65e5\u76ee\uff0811\u67082\u65e5\uff0910:50-11:00\u958b\u4f1a\uff08\u962a\u5927\u9662\u30fb\u85ac\u3001\u962a\u5927\u30fb\u5fae\u7814\uff09\u9ad8\u6728\u9054\u4e5f11:05-12:05\u4e00\u822c\u8b1b\u6f14\uff08\u4f1a\u5834\uff1a\uff13F\u30fb\u56fd\u969b\u4f1a\u8b70\u5ba4\uff09K201*ScaffoldHoppingUsingInductiveLogicProgramming\uff08\u30a2\u30b9\u30c6\u30e9\u30b9\u88fd\u85ac\uff09\u25cb\u89d2\u5c71\u548c\u4e45\uff0c\uff08EquinoxPharmaLtd\uff09AtaAmini\uff0c\uff08ImperialCollegeLondon\uff09MichaelJ.E.Sternberg\uff0cStephenH.MuggletonK202*Developmentofbioinformaticsbasedligand-dockingandin-silicoscreening\uff08\u7406\u5316\u7814\uff09\u25cb\u9ad8\u8c37\u5927\u8f14\uff0c\uff08\u5317\u91cc\u5927\u30fb\u85ac\uff09\u5bfa\u5e2b\u7384\u8a18\uff0c\u52a0\u7d0d\u548c\u5f66K203Point-fluorinationeffectonmolecularconformationintheaggregationpheromone,(3S,4S)-4-methyl-3-heptanol\uff08\u9ce5\u53d6\u5927\u9662\u30fb\u5de5\uff09\u25cb\u65e9\u702c\u4fee\u4e00\uff0c\u7530\u4e2d\u7d62\u5b50\uff0c\u5ddd\u9762\u57fa\uff0c\u4f0a\u85e4\u654f\u5e7813:30-15:30\u30dd\u30b9\u30bf\u30fc\u30bb\u30c3\u30b7\u30e7\u30f3\uff08\u4f1a\u5834\u30fb\uff13F\u30ec\u30bb\u30d7\u30b7\u30e7\u30f3\u30db\u30fc\u30eb\uff0913:30-14:30\u5947\u6570\u756a\u53f7\u767a\u886814:30-15:30\u5076\u6570\u756a\u53f7\u767a\u886815:45-17:15\u4e00\u822c\u8b1b\u6f14\uff08\u4f1a\u5834\uff1a\uff13F\u30fb\u56fd\u969b\u4f1a\u8b70\u5ba4\uff09K204*Predictionoforalbioavailabilityofdruglikechemicalcompounds\uff08\u962a\u5927\u9662\u30fb\u85ac\uff09\u25cb\u77f3\u585a\u8cc0\u5f66\uff0c\uff08\u7530\u8fba\u4e09\u83f1\u88fd\u85ac\uff09\u5927\u8efd\u8cb4\u5178\uff0c\uff08\u962a\u5927\u9662\u85ac\uff09\u65e5\u9ad8\u4f38\u4e4b\u4ecb\uff0c\u5c71\u5d0e\u5e83\u4e4b\uff0c\u9ad8\u539f\u6df3\u4e00\uff0c\u5ca1\u672c\u6643\u5178\uff0c\uff08\u962a\u5927\u9662\u85ac\u3001RCC-ERI\uff09\u5ddd\u4e0b\u7406\u65e5\u4eba\uff0c\uff08\u962a\u5927\u5fae\u7814\u3001RCC-ERI\uff09\u5b89\u6c38\u7167\u96c4\uff0c\uff08\u962a\u5927\u9662\u85ac\u3001\u962a\u5927\u5fae\u7814\u3001RCC-ERI\uff09\u9ad8\u6728\u9054\u4e5fK205*EcotoxicityPredictionusing3D-descriptors\uff08\u962a\u5927\u9662\u30fb\u85ac\uff09\u25cb\u5927\u7709\u4f73\u5927\uff0c\uff08\u56fd\u7acb\u74b0\u5883\u7814\uff09\u767d\u77f3\u5bdb\u660e\uff0c\uff08\u962a\u5927\u9662\u30fb\u85ac\uff09\u5ca1\u672c\u6643\u5178\uff0c\u65e5\u9ad8-23-SARNewsNo.15(Oct.2008)\u4f38\u4e4b\u4ecb\uff0c\u9ad8\u539f\u6df3\u4e00\uff0c\uff08\u962a\u5927\u9662\u30fb\u85ac\u3001RCC-ERI\uff09\u5ddd\u4e0b\u7406\u65e5\u4eba\uff0c\uff08\u962a\u5927\u9662\u85ac\u3001\u962a\u5927\u5fae\u7814\u3001RCC-ERI\uff09\u9ad8\u6728\u9054\u4e5fK206AnalysisofTwenty-eight-dayRepeatedDoseToxicityTestDatainRatsUsingCascadeModel\uff08\u95a2\u5b66\u5927\u30fb\u7406\u5de5\uff09\u25cb\u5927\u68ee\u7d00\u4eba\uff0c\u68ee\u5e78\u96c4\uff0c\u5800\u5ddd\u88b7\u5fd7\uff0c\u5c71\u5ddd\u771e\u900f\uff0c\u5ca1\u7530\u5b5d\uff0c\uff08NITE\uff09\u6afb\u8c37\u7950\u4f01\uff0c\u6797\u771fK207*EfficacyEvaluationofNaturalMedicineBasedontheStateAnalysisofIron\uff08\u9577\u6d5c\u30d0\u30a4\u30aa\u5927\uff09\u25cb\u5ddd\u702c\u96c5\u4e5f\uff0c\uff08\u962a\u5927\u30fbRI\u30bb\u30f3\u30bf\u30fc\uff09\u658e\u85e4\u76f4\uff0c\uff08\u962a\u5927\u9662\u30fb\u7406\uff09\u6c60\u7530\u5eb7\u5927\uff0c\uff08\u5927\u962a\u5927\u8c37\u5927\u30fb\u85ac\uff09\u68ee\u672c\u6b63\u592a\u90ce\uff0c\uff08\u962a\u5927\u535a\u7269\u9928\u3001\u5bcc\u5c71\u5927\u548c\u6f22\u7814\uff09\u9ad8\u6a4b\u4eac\u5b50\uff0c\uff08\u962a\u5927\u9662\u30fb\u85ac\u3001\u962a\u5927\u30fb\u5fae\u7814\u3001RCC-ERI\uff09\u9ad8\u6728\u9054\u4e5f\uff0c(\u5bcc\u5c71\u5927\u30fb\u548c\u6f22\u7814\uff09\u67f4\u539f\u76f4\u5229\uff0c\u5c0f\u677e\u304b\u3064\u5b5018:00-20:00\u61c7\u89aa\u4f1a\uff08\u4f1a\u5834\u30fb\u795e\u6238\u30af\u30a9\u30ea\u30c6\u30a3\u30db\u30c6\u30eb\uff09\u30dd\u30b9\u30bf\u30fc\u30bb\u30c3\u30b7\u30e7\u30f3\uff08\u4f1a\u5834\u30fb\uff13F\u30ec\u30bb\u30d7\u30b7\u30e7\u30f3\u30db\u30fc\u30eb\uff09KP201Developmentofapplicationtoolsforprotein-ligandinteractionanalysesinProteinDataBank\uff08\u9577\u6d5c\u30d0\u30a4\u30aa\u5927\u30fb\u751f\u547d\u60c5\u5831\uff09\u25cb\u9f4a\u85e4\u7f8e\u4fdd\u5b50\uff0c\u767d\u4e95\u525bKP202DevelopmentofaSoftwareToolforPharmacologicalActivityPredictionbyusingCollectiveSVMModels.\uff08\u8c4a\u6a4b\u6280\u79d1\u5927\uff09\u25cb\u85e4\u5cf6\u609f\u5fd7\uff0c\uff08\u79d1\u7814\u88fd\u85ac\uff09\u6cb3\u5408\u5065\u592a\u90ce\uff0c\uff08\u8c4a\u6a4b\u6280\u79d1\u5927\uff09\u9ad8\u6a4b\u7531\u96c5KP203TheoreticalStudyofPartialAgonistLigandsofVitaminDReceptor(VDR):19-norVitaminD3Analogues\uff08\u7acb\u6559\u5927\u30fb\u7406\uff09\u25cb\u5143\u5409\u6c99\u4e5f\u52a0\uff08\u7acb\u6559\u5927\u30fb\u6975\u9650\u751f\u547d\u60c5\u5831\u7814\uff09\u5c71\u5cb8\u8ce2\u53f8\uff0c\uff08\u65e5\u672c\u5927\u30fb\u533b\uff09\uff0c\u69c7\u5cf6\u8aa0\uff0c\uff08\u65e5\u672c\u5927\u30fb\u533b\uff0c\u7acb\u6559\u5927\u30fb\u6975\u9650\u751f\u547d\u60c5\u5831\u7814\uff09\u5c71\u7530\u5e78\u5b50\uff0c\uff08\u7acb\u6559\u5927\u30fb\u7406\uff09\u5e38\u76e4\u5e83\u660eKP204Virtualscreeningandstructuraldevelopmentforinsectmoltinghormonalagonist\uff08\u4eac\u90fd\u5927\u9662\u30fb\u8fb2\uff09\u25cb\u539f\u7530\u4fca\u5e78\uff0c\u4e2d\u5ddd\u597d\u79cb\uff0c\u5bae\u5ddd\u6052KP205StructuralFeatureAnalysisofTransmembraneHelicesinHumanOlfactoryReceptors\uff08\u8c4a\u6a4b\u6280\u79d1\u5927\uff09\u25cb\u7532\u8cc0\u88d5\u4e8c\uff0c\u52a0\u85e4\u535a\u660eKP206AutomatedClassificationofQuaternaryStructureofProteinBasedonDomainPattern\uff08\u8c4a\u6a4b\u6280\u79d1\u5927\uff09\u25cb\u5c0f\u5ddd\u88d5\u884c\uff0c\u52a0\u85e4\u535a\u660eKP207ToxicityEvaluationSystemforChemicalCompoundsBasedonBayesianNet\u25cb\u5c71\u53e3\u4e00\u6b69\uff0c\u5ca1\u7530\u5b5d\uff0c\uff08NITE\uff09\u6afb\u8c37\u7950\u4f01\uff0c\u6797\u771f\uff0c\uff08\u6771\u5317\u5927\u9662\u30fb\u85ac\uff09\u5c71\u6dfb\u5eb7KP208KineticDescriptionandQSARfortheDegradationReactionofElectrophilic1-b-O-AcylGlucuronides\uff08\u5317\u6d77\u9053\u85ac\u5927\uff09\u99ac\u5834\u6681\u5b50\uff0c\u25cb\u5409\u5ca1\u5fe0\u592bKP209Investigationofsubstratespecificityandregioselectivitybasedonenzymeandsubstrate-24-SARNewsNo.15(Oct.2008)threedimensionalstructureofCYP1A2ofhumanandanimals\uff08\u5bcc\u58eb\u901a\uff09\u25cb\u548c\u7530\u7766\u4e16\uff0c\u670d\u90e8\u6c99\u91cc\uff0c\u7d19\u8c37\u5e0c\uff0c\u9152\u4e95\u5e83\u592a\uff0c\u5c71\u4e0b\u8fb0\u535a\uff0c\u671d\u6c38\u60c7KP210\u53d6\u308a\u6d88\u3057KP211AnalysisofcompoundswithdevelopmentaltoxicityinhumanandpredictionoffetotoxicityusingSupportVectorMachines\uff08\u5fb3\u5cf6\u5927\u9662\u85ac\uff09\u25cb\u83ca\u91ce\u88d5\u4ecb\uff0c\u8db3\u7acb\u9ebb\u7f8e\uff0c\u5742\u672c\u4e45\u7f8e\u5b50\uff0c\u6728\u539f\u52dd\uff0c\u5c71\u5185\u3042\u3044\u5b50KP212Structure-activityRelationshipsofPerfluoroAlkaneAcidsforBioconcentraion(NITE)\u25cb\u4f50\u85e4\u4f50\u548c\u5b50\uff0c\u6afb\u8c37\u7950\u4f01\uff0c\u6c60\u6c38\u88d5\uff0c\u4e2d\u5cf6\u57fa\u6a39\uff0c\u5c71\u7530\u96bcKP213AnalysisofRepeatDoseToxicityTestDataforAnilineDerivatives(NITE)\u25cb\u6afb\u8c37\u7950\u4f01\uff0c\u4f50\u85e4\u4f50\u548c\u5b50\uff0c\u897f\u5ddd\u667a\uff0c\u5c71\u7530\u96bc\uff0c\u524d\u5ddd\u662d\u5f66\uff0c\u6797\u771fKP214AnalysisofRepeatDoseToxicityTestDataforNitrobenzenederivatives(NITE)\u25cb\u897f\u5ddd\u667a\uff0c\u6afb\u8c37\u7950\u4f01\uff0c\u4f50\u85e4\u4f50\u548c\u5b50\uff0c\u5c71\u7530\u96bc\uff0c\u524d\u5ddd\u662d\u5f66\uff0c\u6797\u771fKP215EvaluationofBioconcentrationFactorsforChemicalsbyusingCategoryApproach(NITE)\u25cb\u6c60\u6c38\u88d5\uff0c\u6afb\u8c37\u7950\u4f01\uff0c\u4f50\u85e4\u4f50\u548c\u5b50\uff0c\u4e2d\u5cf6\u57fa\u6a39\uff0c\u5c71\u7530\u96bcKP216Theconstructionsof3D-QSARmodelsforthePPARsagonistsinconsiderationofmembranetransport\uff08\u5317\u91cc\u5927\u30fb\u85ac\uff09\u25cb\u4e2d\u8fbc\u6cc9\uff0c\u5c71\u4e59\u6559\u4e4b\uff0c\u5408\u7530\u6d69\u660e\uff0c\u5e83\u91ce\u4fee\u4e00KP217StudyonClassficationModelofChemicalsforEcotoxicityQSARSystem,KATE\uff08\u56fd\u7acb\u74b0\u5883\u7814\uff09\u25cb\u53e4\u6ff1\u5f69\u5b50\uff0c\u9752\u6728\u5eb7\u5c55\uff0c\u767d\u77f3\u5bdb\u660eKP218AnapproachforproducingapotentCK2\u03b1inhibitorusingX-rayandcalorimetryanalyses\uff08\u5927\u962a\u5e9c\u5927\u9662\u30fb\u7406\uff09\u25cb\u95a2\u53e3\u96c4\u4ecb\uff0c\uff08\u5927\u962a\u5e9c\u5927\u9662\u30fb\u751f\u547d\uff09\u6df1\u7530\u306f\u308b\u307f\uff0c\uff08\u5927\u962a\u5e9c\u5927\u9662\u30fb\u7406\uff09\u4ef2\u5ead\u54f2\u6d25\u5b50\uff0c\u6728\u4e0b\u8a89\u5bcc\uff0c\uff08\u8fd1\u5927\u30fb\u85ac\uff09\u4e2d\u6751\u771f\u4e5f\uff0c\u4ef2\u897f\u529f\uff0c\uff08\u4eac\u5927\u9662\u30fb\u85ac\uff09\u5317\u6d66\u548c\u592b\uff0c\u5927\u91ce\u6d69\u7ae0\uff0c\u9234\u6728\u5927\u548c\uff0c\u5e73\u6fa4\u660e\uff0c\u8fbb\u672c\u8c6a\u4e09\uff0c\uff08\u5927\u962a\u5e9c\u5927\u9662\u30fb\u7406\uff09\u591a\u7530\u4fca\u6cbbKP219MakingaRelationalDictionaryforNTGRemovalGraphandBiologicalActionofDrugMolecules\uff08\u8c4a\u6a4b\u6280\u79d1\u5927\uff09\u25cb\u52dd\u7530\u9686\u5f18\uff0c\u9ad8\u6a4b\u7531\u96c5KP220ANoveldenovoDrugDesign:ApplicationofPseudo-MolecularProbeinConstructionofNovelCompoundsbasedonTargetStructure\uff08\u83f1\u5316\u30b7\u30b9\u30c6\u30e0\uff09\u25cb\u6771\u7530\u6b23\u4e5f\uff0c\u5f8c\u85e4\u7d14\u4e00\uff0c\uff08\u6771\u6d77\u5927\u5b66\u533b\uff09\u5e73\u5c71\u4ee4\u660eKP221AComputationalStudyforRolesofaCoenzymeandAminoAcidResiduesinNAT2-IsoniazideComplex(\u6771\u5317\u85ac\u79d1\u5927)\u25cb\u5c0f\u7530\u5f70\uff0c\u9ad8\u6a4b\u592e\u5b9cKP222MolecularRecognitionofBarbiturateEnantiomersinAgonistBindingSiteofNicotinicAcetylcholineReceptor\uff08\u6ecb\u8cc0\u533b\u5927\uff09\u25cb\u5c3e\u5d0e\u5c06\u4e4b\uff0c\u702c\u6238\u502b\u7fa9KP223QSARStudyofBiphenylSulfonamideTypeMMP-9InhibitorsUsingAbInitioMO-25-SARNewsNo.15(Oct.2008)Calculation\uff08\u5fb3\u5cf6\u5927\u9662\u30fb\u85ac\uff09\u25cb\u9577\u5ca1\u548c\u4e5f\uff0c\u5927\u897f\u672a\u6765\uff0c\u5409\u7530\u9054\u8c9e\uff0c\u4e2d\u99ac\u5bdbKP224ComparativeQSARAnalysesofaSeriesofBenzeneSulfonamideInhibitorsBasedonAbInitioMOCalculationofTheirComplexStructureswithCarbonicAnhydrase\uff08\u5fb3\u5cf6\u5927\u9662\u30fb\u85ac\uff09\u5b97\u4e95\u967d\u5e73\uff0c\u25cb\u5409\u7530\u9054\u8c9e\uff0c\u4e2d\u99ac\u5bdbKP225\u30d6\u30e9\u30b8\u30ad\u30cb\u30f3B1\u304a\u3088\u3073B2\u53d7\u5bb9\u4f53\u3068\u30ea\u30ac\u30f3\u30c9\u306e\u8907\u5408\u4f53\u30e2\u30c7\u30ea\u30f3\u30b0\u306b\u3088\u308b\u76f8\u4e92\u4f5c\u7528\u306e\u89e3\u6790\uff08\u65b0\u6f5f\u85ac\u79d1\u5927\uff09\u4e95\u5742\u4fee\u4e45\uff0c\u25cb\u5b89\u9054\u6643\u5f18\uff0c\u7d0d\u5bcc\u52c7\u8f14\uff0c\u7530\u5bae\u5b9f\uff0c\u7c73\u7530\u7167\u4ee3\uff0c\u77f3\u9ed2\u6b63\u8defKP226PharmacophoreEstimationand3D-QSARofLigandsforOrganicAnionTransportingPolypeptide1B1(OATP1B1)\uff08\u6771\u4eac\u5927\u9662\u30fb\u85ac\uff09\u25cb\u6e21\u8fba\u60a6\u90ce\uff0c\u5c71\u4e59\u6559\u4e4b\uff0c\u6960\u539f\u6d0b\u4e4b\uff0c\u5e83\u91ce\u4fee\u4e00\uff0c\u6749\u5c71\u96c4\u4e00KP227DynamicsofmitochondrialADP\/ATPcarrier:RoleofC-terminalregionofyAAC2\uff08\u5343\u8449\u79d1\u5b66\u5927\u30fb\u85ac\uff09\u25cb\u5927\u5009\u4e00\u4eba\uff0c\u6e21\u9089\u9756\u5b50\uff0c\u5ddd\u53e3\u904a\u559c\uff0c\u685d\u6e15\u6cf0\u5b8f\uff0c\uff08\u5fb3\u5cf6\u5927\u9662\u30fb\u30bd\u30b7\u30aa\u30c6\u30af\u30ce\u30b5\u30a4\u30a8\u30f3\u30b9\u7814\uff09\u5800\u5747\uff0c(\u5fb3\u5cf6\u5927\u30fb\u75be\u60a3\u30b2\u30ce\u30e0\u7814)\u7be0\u539f\u5eb7\u96c4KP228\u53d6\u308a\u6d88\u3057KP229Fams-ace2:Structureevaluationprogramusingthecombinationoflocalconsensusmethodandcirclequalityassessmentmethod\uff08\u5317\u91cc\u5927\u30fb\u85ac\uff09\u25cb\u5bfa\u5e2b\u7384\u8a18\uff0c\u9152\u4e95\u535a\u5b50\uff0c\u52a0\u7d0d\u548c\u5f66\uff0c\u5e73\u7530\u670b\u5b50\uff0c\u7af9\u7530\u2015\u5fd7\u9df9\u771f\u7531\u5b50\uff0c\u6885\u5c71\u79c0\u660eKP230CIRCLE:Developmentof3DProteinModelQualityAssessmentprogramusingsecondarystructurepredictionmethodandside-chainenvironment\uff08\u5317\u91cc\u5927\u30fb\u85ac\uff09\u25cb\u5bfa\u5e2b\u7384\u8a18\uff0c\u9152\u4e95\u535a\u5b50\uff0c\u52a0\u7d0d\u548c\u5f66\uff0c\u5e73\u7530\u670b\u5b50\uff0c\u7af9\u7530\u2015\u5fd7\u9df9\u771f\u7531\u5b50\uff0c\u6885\u5c71\u79c0\u660eKP231FAMS_multi:AutomatedhomologymodelingbaseduponmultiplereferenceproteinsusingbetterpairwisealignmentsinCASP8\uff08\u5317\u91cc\u5927\u85ac\uff09\u25cb\u52a0\u7d0d\u548c\u5f66\uff0c\u5e73\u7530\u670b\u5b50\uff0c\u5bfa\u5e2b\u7384\u8a18\uff0c\u9152\u4e95\u535a\u5b50\uff0c\u7af9\u7530\u2015\u5fd7\u9df9\u771f\u7531\u5b50\uff0c\u6885\u5c71\u79c0\u660eKP232FAMSD:IndividualComparativeModelingserverusingSP3,FAMSandCIRCLE\uff08\u5317\u91cc\u5927\u30fb\u85ac\uff09\u25cb\u52a0\u7d0d\u548c\u5f66\uff0c\u5e73\u7530\u670b\u5b50\uff0c\u5bfa\u5e2b\u7384\u8a18\uff0c\u9152\u4e95\u535a\u5b50\uff0c\u7af9\u7530\u2015\u5fd7\u9df9\u771f\u7531\u5b50\uff0c\u6885\u5c71\u79c0\u660eKP233FAMSD_QA:Modelqualityassessmentusingthesidechainenvironmentconsensusscore\uff08\u5317\u91cc\u5927\u30fb\u85ac\uff09\u25cb\u52a0\u7d0d\u548c\u5f66\uff0c\u5e73\u7530\u670b\u5b50\uff0c\u5bfa\u5e2b\u7384\u8a18\uff0c\u9152\u4e95\u535a\u5b50\uff0c\u7af9\u7530\u2015\u5fd7\u9df9\u771f\u7531\u5b50\uff0c\u6885\u5c71\u79c0\u660e-26-SARNewsNo.15(Oct.2008)\u7b2c2\u65e5\u76ee\uff0811\u67083\u65e5\uff099:50-11:30\u4e00\u822c\u8b1b\u6f14\uff08\u4f1a\u5834\uff1a\uff13F\u30fb\u56fd\u969b\u4f1a\u8b70\u5ba4\uff09K301*Chemocavity:SpecificConcavityinProteinReservedfortheBindingofBiologicallyFunctionalSmallMolecules\uff08\u30a2\u30b9\u30c6\u30e9\u30b9\u88fd\u85ac\uff09\u25cb\u66fd\u6211\u771f\u53f8\uff0c\u767d\u4e95\u5b8f\u6a39\uff0c\u5c0f\u5800\u6b63\u4eba\uff0c\uff08\u6771\u6d77\u5927\u30fb\u533b\uff09\u5e73\u5c71\u4ee4\u660eK302*AntibodyDruggability\uff08\u30a2\u30b9\u30c6\u30e9\u30b9\u88fd\u85ac\uff09\u25cb\u767d\u4e95\u5b8f\u6a39\uff0c\uff08\u962a\u5927\u30fb\u86cb\u767d\u7814\uff09\u9ed2\u7530\u5927\u7950\uff0c\uff08\u30a2\u30b9\u30c6\u30e9\u30b9\u88fd\u85ac\uff09\u5c0f\u5800\u6b63\u4eba\uff0c\uff08\u962a\u5927\u30fb\u86cb\u767d\u7814\uff09\u4e2d\u6751\u6625\u6728K303*TheoreticalstudyofgeometryandmolecularrecognitionmechanismofCaseinKinase2\u03b1(CK2\u03b1)withtheFMO-MP2method\uff08\u4eac\u90fd\u5927\u9662\u30fb\u85ac\uff09\u25cb\u6d45\u7530\u76f4\u4e5f\uff0c\u4ef2\u897f\u529f\uff0c\u5317\u6d66\u548c\u592bK304*QSARStudyofCyclicUreaTypeHIV-1ProteaseInhibitorsUsingAbInitioFragmentMOCalculationofTheirComplexStructureswithHIV-1Protease\uff08\u5fb3\u5cf6\u5927\u9662\u30fb\u30d8\u30eb\u30b9\u30d0\u30a4\u30aa\u30b5\u30a4\u30a8\u30f3\u30b9\u7814\uff09\u25cb\u5409\u7530\u9054\u8c9e\uff0c\u4e2d\u99ac\u5bdb12:45-13:45\u7279\u5225\u8b1b\u6f14\uff08\u4f1a\u5834\uff1a\uff13F\u30fb\u56fd\u969b\u4f1a\u8b70\u5ba4\uff09KSANovelStatisticalApproachinPharmaceuticalFormulationDevelopment\uff08\u661f\u85ac\u5927\u30fb\u85ac\uff09\u9ad8\u5c71\u5e78\u4e09\u6559\u638813:50-14:40\u4e00\u822c\u8b1b\u6f14\uff08\u4f1a\u5834\uff1a\uff13F\u30fb\u56fd\u969b\u4f1a\u8b70\u5ba4\uff09K305*PredictionModelConstructionforCholestasisbyToxicogenomicsApproach\uff08\u30a2\u30b9\u30c6\u30e9\u30b9\u88fd\u85ac\uff09\u25cb\u677e\u7530\u55ac\uff0c\u6728\u4e0a\u5927\u8f14\uff0c\u7530\u6751\u5e78\u592a\u6717\uff0c\u5b87\u6ce2\u660e\uff0c\u5c0f\u5800\u6b63\u4eba\uff0c\uff08\u540c\u5fd7\u793e\u5973\u5b50\u5927\u30fb\u85ac\u30fb\u533b\u85ac\u57fa\u76e4\u7814\uff09\u6f06\u8c37\u5fb9\u90ce\uff0c\uff08\u56fd\u7acb\u533b\u85ac\u54c1\u98df\u54c1\u885b\u751f\u7814\uff09\u5927\u91ce\u6cf0\u96c4K306*\u5316\u5408\u7269\u4e09\u6b21\u5143\u5316\u65b9\u6cd5\u306e\u8a55\u4fa1\u30683DMET\u306e\u6539\u826f\uff08\u8fb2\u696d\u751f\u7269\u8cc7\u6e90\u7814\uff09\u25cb\u524d\u7530\u7f8e\u7d00\uff0c\uff08\u5927\u585a\u88fd\u85ac\uff09\u8fd1\u85e4\u4e00\u898b15:30-19:30\u5171\u540c\u30bb\u30c3\u30b7\u30e7\u30f3\uff0836thSARand8thJapan-ChinaJointSymposiumJointSession\uff1b\u4f1a\u5834\u30fb\uff13F\u56fd\u969b\u4f1a\u8b70\u5ba4\u3001\u30ec\u30bb\u30d7\u30b7\u30e7\u30f3\u30db\u30fc\u30eb\uff09-27-SARNewsNo.15(Oct.2008)\/\/\/\/\/Activities\/\/\/\/\/\uff1c\u4f1a\u544a\uff1eThe8thChina-JapanSymposiumonDrugDesignandDevelopment3rdNov.\u20135thNov.2008ConferenceVenue:KobeInternationalConferenceCenterContactInformation:sar-pharm@sahs.med.osaka-u.ac.jpHideakiFujiwara,OsakaUniversityGraduateSchoolofMedicine1-7Yamadaoka,Suita,Osaka565-0871JAPANTEL\/FAX+81-6-6879-2573PROGRAMMONDAY,3rdNov200815:00-15:30OpeningSession(InternationalConferenceRoom)15:30-16:10PlenaryLecture(InternationalConferenceRoom)Theassemblyofpharmacophoreandscaffold:somecasesoftheirapplicationZongruGuoInstituteofMateriaMedica,ChineseAcademyofMedicalSciences16:20-17:30InvitedLectures(InternationalConferenceRoom)V01JReprofilingtheHansch-FujitaTypeofClassicalQSARUsingModernMolecularCalculationsTatsusadaYoshida,KazuyaNagaoka,ToshioFujita,andHiroshiChumanGraduateSchoolofPharmaceuticalSciences,TheUniversityofTokushimaV02JPredictionofADME\/ToxPropertieswithMachineLearningTerukiHonmaYokohamaInstitute,RIKEN17:45-19:30PosterSession(ReceptionHall)AboveLecturesandPostersarepresentedastheJointSessionwiththeJapaneseDomesticSymposium,the36thStructure-ActivityRelationshipsSymposium,sothatparticipantsinthetwoSymposiumscanpromotebilateralfriendshipandgoodwillaswellasacademicexchange.-28-SARNewsNo.15(Oct.2008)TUESDAY,4thNov20089:00-10:50OralSession(InternationalConferenceRoom)R01JRefinementofRegressionDiscriminationAnalysisHiroyukiYAMASAKI1,TakanoriOHGARU2,KousukeOKAMOTO1,NorihitoKAWASHITA1,3,4,JunichiTAKAHARA1,TeruoYASUNAGA1,3,4,TatsuyaTAKAGI1,3,41GraduateschoolofPharmaceuticalSciences,OsakaUniversity;2MedicinalChemistryLaboratory,MitsubishiTanabePharmaCorporation;3GenomeInformationResearchCenter,GraduateschoolofPharmaceuticalSciences,OsakaUniversity;4ResearchInstituteforMicrobialDiseases,OsakaUniversity\uff0cRCC-ERI,OsakaUniversityR02JDNAMicroarrayDataAnalysesUsingPerceptron-TypeMethodsAkikoMatsuura1,ShinnosukeHidaka1,KousukeOkamoto1,NorihitoKawashita1,2,3,MasayaKawase4,TeruoYasunaga2,3,TatsuyaTakagi1,2,31GraduateSchoolofPharmaceuticalSciences,OsakaUniversity,2GenomeInformationResearchCenter,ResearchInstituteforMicrobialDiseases,OsakaUniversity,3RCC-ERI4NagahamaInstituteofBio-ScienceandTechnologyV03JHuman-computercollaborativerecognitionofthestructureactivityrelationshipTakashiOkadaGraduateSchoolofScienceandTechnology,KwanseiGakuinUniversityV04JTheinformationcontentoftheshapeandelectrostaticfieldsofmoleculesAnthonyNichollsOpenEyeScientificSoftware,Inc11:05-12:35OralSession(InternationalConferenceRoom)R03JSynthesisandInhibitoryActivityofIndole2,3-DioxygenaseYuusakuYokoyama,1KatsuhikoTsutsumi,1HidetoshiAkimoto,3OsamuTakikawa,2andHiroakiOkuno11SchoolofPharmaceuticalScienceofTohoUniversity;2NationalInstituteforLongevityScience;3HokkaidoUniversityGraduateSchoolofMedicineV05CSynthesisoftheOriginallyProposedandStructuralRevisedTasiamideandItsAnaloguesZhenhuaMa,TiantianSun,ChunxiaLi,WeiZhang,PengWang,YingxiaLiKeyLaboratoryofMarineDrugs,TheMinistryofEducationofChina,SchoolofMedicineandPharmacy,OceanUniversityofChinaV06JLeadGenerationofNovelSteroidalAndrogenPureAntagonistusingChemogenomics-likeApproachandScaffoldHoppingtoNon-SteroidalCompoundsusingStructure-BasedDesign-29-SARNewsNo.15(Oct.2008)MasateruOhta,KazutakaTachibana,HitoshiYoshino,TakuyaShiraishi,IkuhiroImaoka,NobuakiKato,MitsuakiNakamura,HaruhikoSato,MitsuhiroKawata,KenjiTaniguchi,NobuyukiIshikura,MasahiroNagamuta,EtsuroOnuma,ToshitoNakagawa,andKyun-YunJungChugaiPharmaceuticalCo.Ltd.;C&#038;CResearchLaboratories13:45-15:15OralSession(InternationalConferenceRoom)R04CDevelopmentandAssessmentofEmpiricalScoringFunctionsforComputingProtein-LigandBindingAffinitiesRenxiaoWang,*TiejunCheng,ZhiguoLiu,FuLin,XunLiandYanLiStateKeyLaboratoryofBioorganicChemistry,ShanghaiInstituteofOrganicChemistry,ChineseAcademyofSciences;InstituteofMateriaMedica,ChineseAcademyofMedicalSciencesV07CDiscoveringsmallorganiccompoundsasdenguedrugleadsbyusingMDsimulations,moleculardockingandbioassaymethodsZhiliZuo\u00a7,OiWahLiew\u00a7,ChumMokPuah\u00a7,WeiliangZhu\u2021,*\u00a7:CentreforBiomedical&#038;LifeSciences,SingaporePolytechnic;\u2021:DrugDiscoveryandDesignCentre,ShanghaiInstituteofMateriaMedicaV08JComputationalapproachesforfragment-baseddrugdiscoveryOsamuTakahashi,AyumuMuroya,YoshiakiMasuda,ToshioFuruyaDrugDiscoveryDepartment,PharmaDesign,Inc.15:30-17:50OralSession(InternationalConferenceRoom)V09CHighlyEfficientandPracticalApproachestowardtheAsymmetricTotalSynthesisof(+)-CamptothecinsZhong-HuaWangaXiao-DongXiongaFang-JunXiongaFen-ErCheng*abaDepartmentofChemistry,FudanUniversity;bInstituteofBiomedicalScience,FudanUniversityV10CTheApproachtoDiscoverLeadCompoundswithNovelScaffoldShenJingkang*,TaoMeng,XiongBing,XieXin,andFangGuanghuaStateKeyLaboratoryofNewDrugResearch,ShanghaiInstituteofMateriaMedica,ChineseAcademyofSciencesV11JUniqueCompoundsProducedbyMarine-derivedFungiTakenoriKusumiGraduateSchoolofScienceandEngineering,TokyoInstituteofTechnologyV12JCrystalstructureofsquidrhodopsin-30-SARNewsNo.15(Oct.2008)TatsuroShimamuraGraduateSchoolofMedicine,KyotoUniversity18:15-20:00Banquet(QualityHotelKobe,16FBarcelona)WEDNESDAY,5thNov20088:40-10:30OralSession(InternationalConferenceRoom)R05JNonlinearclassificationofdrug-inducedarrhythmogenicactivityShinnosukeHIDAKA1,AkikoMATSUURA1\uff0cHiroyukiYAMASAKI1\uff0cYoshihiroOHMAYU1\uff0cKousukeOKAMOTO1\uff0cNorihitoKAWASHITA1,2,3\uff0cTatsuyaTAKAGI*1,2,31GraduateSchoolofPhamaceuticalSciences.OsakaUniversity,2GenomeInformationResearchCenter,ResearchInstituteforMicrobialDiseases,OsakaUniversity\uff0c3RCC-ERI,OsakaUniversityR06JEnhancementofOrdinalCoMFAbyRidgeLogisticPLSTakanoriOhgaru1,2,RyoShimizu2,KousukeOkamoto1\uff0cNorihitoKawashita1,3,MasayaKawase4,YukoShirakuni1,RikaNishikori4,TatsuyaTakagi*1,41GraduateSchoolofPhamaceuticalSciences.OsakaUniversity,2MitsubishiTanabePharmaCorporation,3GenomeInformationResearchCenter,RCC-ERI,OsakaUniversity\uff0c4FacultyofPharmacy,OsakaOhtaniUniversityV13CStudyonInteractionsandRecognitionbetweenHIV-1IntegraseandItsLigandsviaMolecularModelingCunXinWang,WeiZuChen,JianPingHuCollegeofLifeScienceandBioengineering,BeijingUniversityofTechnologyV14JAnalyzingPatentswithCheminformaticsTechniques~PredictionofKeyExampleCompoundsinCompetitors'PatentApplicationswithStructuralInformationAlone~KazunariHattoriDiscoveryResearchLaboratories,Shionogi&#038;Co.,LTD10:45-12:00OralSession(InternationalConferenceRoom)R07CDesign,SynthesisandActivityofImmuno-modulatingAgentsDaliYin,ZhiyongLi,YanshenGuoInstituteofMateriaMedicaChineseAcademyofMedicalSciencesR08CDiscoveryofSmallMoleculeInhibitorsofIntegrin\u03b1v\u03b23throughStructure-BasedVirtualScreeningYuanZhou,HuiPeng,QingJi,JingQi,DongshengXiong,ChunzhengYang-31-SARNewsNo.15(Oct.2008)StateKeyLaboratoryofExperimentalHematology,InstituteofHematologyandBloodDiseasesHospital,ChineseAcademyofMedicalSciencesandPekingUnionMedicalCollegeV15CChemicalandBiologicalResearchofGambogicAcidYouQi-Dong,WangXiao-Yang,GuoQing-LongSchoolofPharmacy,ChinaPharmaceuticalUniversityInabovelist,thepresentationnumberthatstartswithVmeansInvitedLecturewhilethatstartswithRmeansgeneraloralpresentation.POSTERPRESENTATIONSP01ApplicationoftheTFS-BasedSupportVectorMachinestoin-silicoScreeningStrategyKentaroKawaiandYoshimasaTakahashiToyohashiUniversityofTechnologyP02FocusedLibraryDesignBasedonComplexCrystalStructuresandApplicationinFabZInhibitorsDiscoveryHongLiu,LinyanHe,LiangZhang,WeiliangZhu,XuShen,HauliangJiangDrugDiscoveryandDesignCenter,ShanghaiInstituteofMateriaMedicaP03Three-DimensionalStructuralDataMiningBasedonGeometricalFragmentSpectraHiroakiKato,ShigeruYoshida,YoshimasaTakahashiDepartmentofKnowledge-basedInformationEngineering,ToyohashiUniversityofTechnologyP04SynthesisandEvaluationofN4-ArylsulfonylquinoxalinonesasHIV-1ReverseTranscriptaseInhibitorsBailingXu1*,YanSun1,YingGuo1,YingliCao1,TaoYu1,YanshenGuo1,DecaiFu21InstituteofMateriaMedica,ChineseAcademyofMedicalSciences&#038;PekingUnionMedicalCollege;2HebeiUniversityofScienceandTechnologyP05TheoreticalConsiderationonEnzymaticQSAR;EnergyDecompositionAnalysisoftheHammett\u03c3ConstantandQSARofMMP-9InhibitorsUsingAbIinitioMOCalculationsKazuyaNagaoka,MikuOonishi,TatsusadaYoshida,HiroshiChumanGraduateSchoolofPharmaceuticalSciences,TheUniversityofTokushimaP06Design,synthesisofPhosphodiesteraseIVInhibitorsbasedonPharmacophoreandScaffoldHoppingYanshenGuo,XueshiMao,FengmingChu,ZongruGuoInstituteofMateriaMedicaChineseAcademyofMedicalSciencesP07Docking-posepredictionbyreceptor-basedtailor-madescoringfunctionShinyaNakamura*1,KazuoKitaura2andIsaoNakanishi1-32-SARNewsNo.15(Oct.2008)1DepartmentofPharmaceuticalSciences,SchoolofPharmacy,KinkiUniversity2GraduateSchoolofPharmaceuticalSciences,KyotoUniversityP08StructurepredictionandR115866bindingstudyofhumanCYP26A1:homologymodelling,foldrecognition,moleculardockingandMDsimulationsJin-HongRena,Xu-QiongXionga,YuShaa,Mao-CaiYana,BinLinb,JianWanga,Yong-KuiJingc,Dong-MeiZhaoaandMao-ShengChenga*aSchoolofPharmaceuticalEngineering,ShenyangPharmaceuticalUniversity;bStructuralandComputationalBiologyandMolecularBiophysics,BaylorCollegeofMedicine;cDepartmentofMedicine,MountSinaiSchoolofMedicineP09QSARmodelforpassivetransportpredictionwithinsilicodescriptors\u2013Fromartificialmembranepermeabilitytohumanoralabsorption\u2013MikiAkamatsu1,KazuyaNakao2,MasaakiFujikawa1,RyoShimizu21GraduateSchoolofAgriculture,KyotoUniversity;2MitsubishiTanabePharmaCorporationP10LeadIdentificationofNovelPTP1BInhibitors:IntegrationofPharmacophoreModelingandScaffoldHoppingZhiyanXiao1*,ShuenZhang1,FeilinNie1,JunzhengLiu1,YundeXiao2,FeiYe1,JinyingTian1andZongruGuo11InstituteofMateriaMedica,ChineseAcademyofMedicalSciences&#038;PekingUnionMedicalCollege;2TargaceptInc.P11StructuralmodelsforbradykininB1receptor-ligandcomplexesNobuhisaIsaka,YuusukeNoutomi,MinoruTamiya,TeruyoYoneda,MasajiIshiguroFacultyofAppliedLifeSciences,NiigataUniversityofPharmacyandAppliedLifeSciencesP12PharmacophoreModelConstructionof\u03b2-secretaseInhibitorsWenhaiHuang1,RongSheng1,Yongliao1,YongzhouHu1*1ZJU-ENSjointlaboratoryofMedicinalChemistry,SchoolofPharmaceuticalSciences,ZhejiangUniversityP13ClinicalQSARStudyonPlacentalDrugTransferandAnInVitroEvaluationModelUsingHumanPlacentalJEG-3CellsAikoYamauchi1,KaoriNakai1,SayakoDoi1,KumikoSakamoto2,MasaruKihara11GraduateSchoolofPharmaceuticalSciences,2DepartmentofHospitalPharmacy,TheUniversityofTokushimaP14MagneticResonanceImagingasaMeansofEstimatingBrainFunctions:SimultaneousT1andT2MappingofHumanBrainbytrueFISPSequenceMasayoshiSasagawa1,ToshiharuSakuma2,NaoakiYamada2,YujiIshikawa1,FumitoImai1,HirohikoImai1,AtsuomiKimura1,andHideakiFujiwara11GraduateSchoolofMedicine,OsakaUniversity;2NationalCardiovascularResearchInstitute-33-SARNewsNo.15(Oct.2008)P15MagneticResonanceImagingasaMeansofEstimatingCardiacFunctions:SimultaneousT1andT2MappingofHumanHeartbytrueFISPSequenceYujiIshikawa1,ToshiharuSakuma2,NaoakiYamada2,MasayoshiSasagawa1,FumitoImai1,HirohikoImai1,AtsuomiKimura1,andHideakiFujiwara11GraduateSchoolofMedicine,OsakaUniversity;2NationalCardiovascularResearchInstituteFollowingpostersareenrolledfromthe36thSymposiumonStructure-ActivityRelationshipsastheJointSessionwiththeJapaneseDomesticSymposium.KP201Developmentofapplicationtoolsforprotein-ligandinteractionanalysesinProteinDataBankMihokoSaito,TsuyoshiShiraiDepartmentofBioscience,NagahamaInstituteofBioscienceandTechnologyKP202DevelopmentofaSoftwareToolforPharmacologicalActivityPredictionbyusingCollectiveSVMModelsSatoshiFujishima1,KentaroKawai2,YoshimasaTakahashi11)DepartmentofKnowledge-basedInformationEngineering,ToyohashiUniversityofTechnology;2)CentralResearcchLaboratories,KakenPharmaceuticalCo.,Ltd.KP203TheoreticalStudyofPartialAgonistLigandsofVitaminDReceptor(VDR):19-norVitaminD3AnaloguesSayakaMotoyoshi1,KenjiYamagishi2,MakotoMakishima3,SachikoYamada2,3,andHiroakiTokiwa1,2,31)DepartmentofChemistry,FacultyofScience,RikkyoUniversity;2)ResearchInformationCenterforExtremophile,RikkyoUniversity;3)DepartmentofBiochemistry,NihonUniversityofMedicineKP211AnalysisofcompoundswithdevelopmentaltoxicityinhumanandpredictionoffetotoxicityusingSupportVectorMachinesYusukeKikuno,MamiAdachi,KumikoSakamoto,MasaruKihara,AikoYamauchiGraduateSchoolofPharmaceuticalSciences,TheUniversityofTokushimaKP219MakingaRelationalDictionaryforNTGRemovalGraphandBiologicalActionofDrugMoleculesTakahiroKatsuda,YoshimasaTakahashiDepartmentofKnowledge-basedInformationEngineering,ToyohashiUniversityofTechnologyKP220ANoveldenovoDrugDesign:ApplicationofPseudo-MolecularProbeinConstructionofNovelCompoundsbasedonTargetStructureKinyaToda1,JunichiGoto1,NoriakiHirayama2-34-SARNewsNo.15(Oct.2008)-35-1)ComputationalScienceDepartment,Science&#038;TechnologySystemsDivision,RyokaSystems,Inc.;2)BasicMedicalScienceandMolecularMedicine,TokaiUniversitySchoolofMedicineKP225ModelingAnalysisofInteractionsofBradykininB1andB2ReceptorswithTheirEndogenousLigandsNobuhisaIsaka,AkihiroAdachi,YuusukeNoutomi,MinoruTamiya,TeruyoYoneda,MasajiIshiguroFacultyofAppliedLifeSciences,NiigataUniversityofPharmacyandAppliedLifeSciencesKP229Fams-ace2:StructureevaluationprogramusingthecombinationoflocalconsensusmethodandcirclequalityassessmentmethodGenkiTerashi1,HirokoSakai*1,KazuhikoKanou1,TomokoHirata1,MayukoTakeda-Shitaka1,HideakiUmeyama11)SchoolofPharmacy,KitasatoUniversityKP230CIRCLE:Developmentof3DProteinModelQualityAssessmentprogramusingsecondarystructurepredictionmethodandside-chainenvironmentGenkiTerashi1,HirokoSakai1,KazuhikoKanou1,TomokoHirata1,MayukoTakeda-Shitaka1,HideakiUmeyama11)SchoolofPharmacy,KitasatoUniversityKP231FAMS_multi:AutomatedhomologymodelingbaseduponmultiplereferenceproteinsusingbetterpairwisealignmentsinCASP8KazuhikoKanou1,TomokoHirata1,GenkiTerashi1,HirokoSakai1,MayukoTakeda-Shitaka1andHideakiUmeyama11)SchoolofPharmacy,KitasatoUniversityKP232FAMSD:IndividualComparativeModelingserverusingSP3,FAMSandCIRCLEKazuhikoKanou1,TomokoHirata1,GenkiTerashi1,HirokoSakai1,MayukoTakeda-Shitaka1andHideakiUmeyama11)SchoolofPharmacy,KitasatoUniversityKP233FAMSD_QA:ModelqualityassessmentusingthesidechainenvironmentconsensusscoreKazuhikoKanou1,TomokoHirata1,GenkiTerashi1,HirokoSakai1,MayukoTakeda-Shitaka1andHideakiUmeyama11)SchoolofPharmacy,KitasatoUniversityK202Developmentofbioinformaticsbasedligand-dockingandin-silicoscreeningDaisukeTakaya1,2,GenkiTerashi2,KazuhikoKanou2,MayukoTakeda-Shitaka1,2,HideakiUmeyama1,21)RIKENSystemsandStructuralBiologyCenter;2)BiomolecularDesign,SchoolofPharmacy,KitasatoUniversitySARNewsNo.15(Oct.2008)\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u90e8\u4f1a\u306e\u6cbf\u9769\u3068\u8da3\u65e81970\u5e74\u4ee3\u306e\u524d\u534a\u3001\u533b\u8fb2\u85ac\u3092\u542b\u3080\u751f\u7406\u6d3b\u6027\u7269\u8cea\u306e\u6d3b\u6027\u767a\u73fe\u306e\u5206\u5b50\u6a5f\u69cb\u3001\u7acb\u4f53\u69cb\u9020\u30fb\u96fb\u5b50\u69cb\u9020\u306e\u8a08\u7b97\u3084\u6d3b\u6027\u30c7\u30fc\u30bf\u51e6\u7406\u306b\u5bfe\u3059\u308b\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u306e\u6d3b\u7528\u306a\u3069\u3001\u95a2\u9023\u5206\u91ce\u306e\u3081\u3056\u307e\u3057\u3044\u767a\u5c55\u306b\u3068\u3082\u306a\u3063\u3066\u3001\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u3068\u5206\u5b50\u8a2d\u8a08\u306b\u5bfe\u3059\u308b\u65b0\u3057\u3044\u65b9\u6cd5\u8ad6\u304c\u4e16\u754c\u7684\u306b\u53f0\u982d\u3057\u3066\u304d\u305f\u3002\u3053\u306e\u3088\u3046\u306a\u60c5\u52e2\u306b\u547c\u5fdc\u3059\u308b\u3068\u3068\u3082\u306b\u3001\u7814\u7a76\u8005\u306e\u4ea4\u6d41\u3068\u60c5\u5831\u4ea4\u63db\u3001\u7814\u7a76\u767a\u8868\u3068\u65b9\u6cd5\u8ad6\u306e\u666e\u53ca\u306e\u5834\u3092\u63d0\u4f9b\u3059\u308b\u3053\u3068\u3092\u76ee\u7684\u306b\u8a2d\u7acb\u3055\u308c\u305f\u306e\u304c\u672c\u90e8\u4f1a\u306e\u524d\u8eab\u306e\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u61c7\u8a71\u4f1a\u3067\u3042\u308b\u30021975\u5e745\u6708\u4eac\u90fd\u306b\u304a\u3044\u3066\u7b2c\uff11\u56de\u306e\uff62\u61c7\u8a71\u4f1a\uff63\uff08\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\uff09\u304c\u65d7\u63da\u3052\u3055\u308c\u30011980\u5e74\u304b\u3089\u306f\u5e74\uff11\u56de\u306e\uff62\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\uff63\u304c\u95a2\u4fc2\u8af8\u5b66\u4f1a\u306e\u5171\u50ac\u306e\u4e0b\u3067\u5b9a\u671f\u7684\u306b\u958b\u50ac\u3055\u308c\u308b\u3088\u3046\u306b\u306a\u3063\u305f\u30021993\u5e74\u3088\u308a\u540c\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\u306f\u65e5\u672c\u85ac\u5b66\u4f1a\u533b\u85ac\u5316\u5b66\u90e8\u4f1a\u306e\u4e3b\u50ac\u306e\u4e0b\u3001\u95a2\u4fc2\u5b66\u4f1a\u306e\u5171\u50ac\u3092\u5f97\u3066\u884c\u306a\u308f\u308c\u308b\u3053\u3068\u3068\u306a\u3063\u305f\u3002\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u61c7\u8a71\u4f1a\u306f1994\u5e74\u306b\u305d\u306e\u540d\u79f0\u3092\u540c\u7814\u7a76\u4f1a\u306b\u6539\u3081\u3001\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\u958b\u50ac\u306e\u5b9f\u52d9\u62c5\u5f53\u30b0\u30eb\u30fc\u30d7\u3068\u3057\u3066\u306e\u5f79\u5272\u3092\u679c\u3059\u3053\u3068\u3068\u306a\u3063\u305f\u30022002\u5e744\u6708\u304b\u3089\u306f\u3001\u65e5\u672c\u85ac\u5b66\u4f1a\u306e\u5098\u4e0b\u7d44\u7e54\u306e\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u90e8\u4f1a\u3068\u3057\u3066\u518d\u51fa\u767a\u3057\u3001\u95a2\u9023\u8af8\u5b66\u4f1a\u3068\u5bc6\u63a5\u306a\u9023\u643a\u3092\u4fdd\u3061\u3064\u3064\u3001\u751f\u7406\u6d3b\u6027\u7269\u8cea\u306e\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u306b\u95a2\u3059\u308b\u5b66\u8853\u30fb\u7814\u7a76\u306e\u632f\u8208\u3068\u63a8\u9032\u306b\u5411\u3051\u3066\u6d3b\u52d5\u3057\u3066\u3044\u308b\u3002\u73fe\u5728\u305d\u308c\u305e\u308c\u5e74\u4e00\u56de\u306e\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\u3068\u30d5\u30a9\u30fc\u30e9\u30e0\u3092\u958b\u50ac\u3059\u308b\u3068\u3068\u3082\u306b\u3001\u90e8\u4f1a\u8a8c\u306eSARNews\u3092\u5e74\u4e8c\u56de\u767a\u884c\u3057\u3001\u95a2\u4fc2\u9818\u57df\u306e\u6700\u65b0\u306e\u60c5\u52e2\u306b\u95a2\u3059\u308b\u5553\u8499\u3068\u5e83\u5831\u6d3b\u52d5\u3092\u884c\u3063\u3066\u3044\u308b\u3002\u672c\u90e8\u4f1a\u306e\u6cbf\u9769\u3068\u8da3\u65e8\u304a\u3088\u3073\u6700\u65b0\u306e\u52d5\u5411\u306a\u3069\u306e\u8a73\u7d30\u306b\u95a2\u3057\u3066\u306f\u30db\u30fc\u30e0\u30da\u30fc\u30b8\u3092\u53c2\u7167\u9802\u304d\u305f\u3044\u3002\uff08http:\/\/bukai.pharm.or.jp\/bukai_kozo\/index.html\uff09\u7de8\u96c6\u5f8c\u8a18\u65e5\u672c\u85ac\u5b66\u4f1a\u69cb\u9020\u6d3b\u6027\u76f8\u95a2\u90e8\u4f1a\u8a8cSARNews\u7b2c15\u53f7\u3092\u304a\u5c4a\u3051\u3044\u305f\u3057\u307e\u3059\u3002\u3054\u591a\u5fd9\u306e\u4e2d\u3001\u3054\u57f7\u7b46\u3044\u305f\u3060\u304d\u307e\u3057\u305f\u8af8\u5148\u751f\u65b9\u306b\u5fc3\u3088\u308a\u304a\u793c\u7533\u3057\u4e0a\u3052\u307e\u3059\u3002\u4eca\u53f7\u306f\u3001Fragment-BasedDrugDiscovery\uff08FBDD\uff09\u3092\u7279\u96c6\u3057\u307e\u3057\u305f\u3002Perspective\/Retrospective\u3067\u306f\u3001\u7530\u4e2d\u5927\u8f14\u5148\u751f\uff08\u5927\u65e5\u672c\u4f4f\u53cb\u88fd\u85ac\uff09\u306bFBDD\u306e\u5275\u85ac\u306b\u304a\u3051\u308b\u610f\u7fa9\u3068\u5168\u4f53\u50cf\u3092\u3054\u89e3\u8aac\u3044\u305f\u3060\u304d\u3001CuttingEdge\u3067\u306f\u3001\u5404\u6280\u8853\u306b\u3064\u3044\u3066\u3001SPR\u3092\u68b6\u539f\u5927\u4ecb\u5148\u751f\u3068\u68ee\u672c\u9999\u7e54\u5148\u751f\uff08GE\u30d8\u30eb\u30b9\u30b1\u30a2\u30d0\u30a4\u30aa\u30b5\u30a4\u30a8\u30f3\u30b9\uff09\u306b\u3001\uff38\u7dda\u89e3\u6790\u3092\u5c7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