{"id":3859,"date":"2016-11-02T10:02:57","date_gmt":"2016-11-02T02:02:57","guid":{"rendered":"http:\/\/www.moldesigner.com\/?p=90"},"modified":"2022-03-24T15:37:51","modified_gmt":"2022-03-24T07:37:51","slug":"5-most-important-considerations-when-testing-a-new-drug","status":"publish","type":"post","link":"https:\/\/www.moldesigner.com\/?p=3859","title":{"rendered":"\u5f00\u521b\u6027\u7814\u7a76 | \u95f4\u63a5\u6027CDK5\u4ecb\u5bfc\u7684tau\u86cb\u767d\u78f7\u9178\u5316\u6291\u5236\u5242"},"content":{"rendered":"<div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-1 fusion-flex-container fusion-parallax-none nonhundred-percent-fullwidth non-hundred-percent-height-scrolling lazyload\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-padding-top:150px;--awb-padding-bottom:90px;--awb-padding-top-medium:80px;--awb-background-size:cover;--awb-flex-wrap:wrap;\" 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fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-image-element \" style=\"text-align:center;--awb-caption-title-font-family:var(--h2_typography-font-family);--awb-caption-title-font-weight:var(--h2_typography-font-weight);--awb-caption-title-font-style:var(--h2_typography-font-style);--awb-caption-title-size:var(--h2_typography-font-size);--awb-caption-title-transform:var(--h2_typography-text-transform);--awb-caption-title-line-height:var(--h2_typography-line-height);--awb-caption-title-letter-spacing:var(--h2_typography-letter-spacing);\"><span class=\" fusion-imageframe imageframe-none imageframe-1 hover-type-none\"><img decoding=\"async\" width=\"1080\" height=\"597\" title=\"\u5fae\u4fe1\u56fe\u7247_20220323165623\" src=\"https:\/\/www.moldesigner.com\/wp-content\/uploads\/2016\/11\/\u5fae\u4fe1\u56fe\u7247_20220323165623.jpg\" data-orig-src=\"http:\/\/www.moldesigner.com\/wp-content\/uploads\/2016\/11\/\u5fae\u4fe1\u56fe\u7247_20220323165623.jpg\" alt class=\"lazyload img-responsive wp-image-4769\" srcset=\"data:image\/svg+xml,%3Csvg%20xmlns%3D%27http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%27%20width%3D%271080%27%20height%3D%27597%27%20viewBox%3D%270%200%201080%20597%27%3E%3Crect%20width%3D%271080%27%20height%3D%27597%27%20fill-opacity%3D%220%22%2F%3E%3C%2Fsvg%3E\" data-srcset=\"https:\/\/www.moldesigner.com\/wp-content\/uploads\/2016\/11\/\u5fae\u4fe1\u56fe\u7247_20220323165623-200x111.jpg 200w, https:\/\/www.moldesigner.com\/wp-content\/uploads\/2016\/11\/\u5fae\u4fe1\u56fe\u7247_20220323165623-400x221.jpg 400w, https:\/\/www.moldesigner.com\/wp-content\/uploads\/2016\/11\/\u5fae\u4fe1\u56fe\u7247_20220323165623-600x332.jpg 600w, https:\/\/www.moldesigner.com\/wp-content\/uploads\/2016\/11\/\u5fae\u4fe1\u56fe\u7247_20220323165623-800x442.jpg 800w, https:\/\/www.moldesigner.com\/wp-content\/uploads\/2016\/11\/\u5fae\u4fe1\u56fe\u7247_20220323165623.jpg 1080w\" data-sizes=\"auto\" data-orig-sizes=\"(max-width: 1024px) 100vw, (max-width: 640px) 100vw, 1080px\" \/><\/span><\/div><\/div><\/div><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-1 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-color:#0193b7;--awb-bg-color-hover:#0193b7;--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:0px;--awb-spacing-left-large:1.92%;--awb-width-medium:75%;--awb-order-medium:0;--awb-spacing-right-medium:2.56%;--awb-spacing-left-medium:2.56%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-1\" style=\"--awb-text-transform:none;--awb-text-color:#ffffff;\"><p style=\"text-align: center;\"><strong>2022 \u590f\u5b63\u79d1\u5b66\u6311\u6218\u676f\u5df2\u7ecf\u5f00\u59cb<\/strong><\/p>\n<\/div><\/div><\/div><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-2 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-padding-top:50px;--awb-padding-right:50px;--awb-padding-bottom:50px;--awb-padding-left:50px;--awb-bg-color:#ffffff;--awb-bg-color-hover:#ffffff;--awb-bg-size:cover;--awb-border-color:#25afb4;--awb-border-bottom:8px;--awb-border-style:solid;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:0px;--awb-spacing-left-large:1.92%;--awb-width-medium:75%;--awb-spacing-right-medium:2.56%;--awb-spacing-left-medium:2.56%;--awb-width-small:100%;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-2\" style=\"--awb-text-transform:none;\"><p><strong>2021\u6625\u5b63\u79d1\u5b66\u6311\u6218\u676f\u6700\u7ec8\u83b7\u80dc\u9879\u76ee\u8fd1\u65e5\u516c\u5e03\uff0c\u7ecf\u8fc7\u4e00\u5e74\u7684\u65f6\u95f4\uff0c\u6765\u81ea\u5f00\u7f57\u5927\u5b66\u7684 Ahmed Elkerdawy\u00a0\u6559\u6388\u6210\u529f\u4ece\u5934\u8bbe\u8ba1\u4e86\u5e72\u6270calpain\u548cp35\u7ed3\u5408\u7684\u5c0f\u5206\u5b50\uff0c\u4e3a\u4ee5Tau\u901a\u8def\u4f5c\u4e3a\u9776\u70b9\u7684\u6cbb\u7597\u7b56\u7565\u63d0\u4f9b\u4e86\u5168\u65b0\u65b9\u5411\u3002<\/strong><\/p>\n<p><strong>\u8fd9\u662f\u4e00\u4e2a\u975e\u5e38\u6709\u8da3\u7684\u601d\u8def\uff0c\u6211\u4eec\u795d\u613f\u4ed6\u5728\u8fd9\u4e2a\u65b0\u836f\u7269\u9776\u70b9\u7684\u60ca\u4eba\u5f00\u521b\u6027\u9879\u76ee\u4e2d\u4e00\u5207\u987a\u5229\u3002<\/strong><\/p>\n<p><strong>01<\/strong><\/p>\n<section><strong>calpain-p<\/strong><strong>35\u7ed3\u5408\u6291\u5236\u5242\u7684\u4ece\u5934\u8bbe\u8ba1<\/strong><\/section>\n<section>\u7814\u7a76\u8005\u9996\u5148\u5bf9\u63a5\u4e86\u4e00\u4e2a\u7247\u6bb5\u5e93\uff0c\u5206\u6790\u4e86\u7247\u6bb5\u548c\u6b8b\u57fa\u7ed3\u5408\u7684\u9891\u7387\uff0c\u4ece\u800c\u627e\u5230\u5173\u952e\u6027\u6b8b\u57fa\u3002\u540e\u57fa\u4e8e\u5e38\u89c1\u7247\u6bb5\u751f\u6210\u836f\u6548\u56e2\uff0c\u7b5b\u9009ZINC\u6570\u636e\u5e93\uff0c\u5f97\u5230\u7cfb\u5217hits\uff0c\u4f46\u7531\u4e8e\u5927\u591a\u65e0\u6cd5\u8d2d\u4e70\u4e14\u5408\u6210\u6027\u4f4e\u3002<\/section>\n<section>\u7814\u7a76\u8005\u901a\u8fc7DataWarrior\u8f6f\u4ef6\u5206\u6790hits\u7684\u9aa8\u67b6\uff0c\u4ee5\u6700\u5e38\u89c1\u7684\u9aa8\u67b6\u4e3a\u4f18\u5316\u7684\u8d77\u70b9\uff0c<strong>\u5728<\/strong><strong>SeeSAR\u7684inspirator\u6a21\u5f0f\u548cmolecule editor\u6a21\u5f0f\u4e2d\u8fdb\u884c\u7ed3\u6784\u4fee\u6539\uff0c\u901a\u8fc7SeeSAR\u7279\u6709\u7684HYDE\u8bc4\u4f30\u4eb2\u548c\u529b\uff0c\u6700\u7ec8\u5f97\u5230\u4e86\u4e09\u79cd\u5177\u6709\u8840\u8111\u5c4f\u969c\u6e17\u900f\u6027\u3001\u975eg-pg\u5e95\u7269\u4e14\u5177\u6709\u5408\u6210\u6027\u7684\u9aa8\u67b6\u3002<\/strong><\/section>\n<section><strong>\u00a0<\/strong><\/section>\n<section><strong>02<\/strong><\/section>\n<section><strong>\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u9a8c\u8bc1\u5047\u8bbe<\/strong><\/section>\n<p>\u9996\u5148\uff0c\u901a\u8fc7 GROMACS \u5bf9\u6bcf\u4e2a\u9aa8\u67b6\u7684\u4ee3\u8868\u5316\u5408\u7269\u8fdb\u884c100ns\u7684\u6a21\u62df\uff0c\u7814\u7a76\u7ed3\u5408\u81ea\u7531\u80fd\u548c\u7ed3\u5408\u6a21\u5f0f\uff0c\u5e76\u8fdb\u4e00\u6b65\u5bf9\u5177\u6709\u6700\u9ad8\u7ed3\u5408\u80fd\u7684\u4ee3\u8868\u6027\u5316\u5408\u7269\u8fdb\u884c 500 ns \u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\uff0c\u8be6\u7ec6\u7814\u7a76\u4e86\u7ed3\u5408\u81ea\u7531\u80fd\u4ee5\u53ca\u7ed3\u5408\u6a21\u5f0f\u53ca\u5176\u5bf9\u9499\u86cb\u767d\u9176\u7ed3\u5408\u4f4d\u70b9\u4e8c\u7ea7\u7ed3\u6784\u7684\u5f71\u54cd\u3002\u540c\u65f6\uff0c\u914d\u4f53\u7684\u7ed3\u5408\u6784\u8c61\u88ab\u805a\u7c7b\u5206\u6790\uff0c\u53d1\u73b0\u6700\u4e3b\u8981\u7684\u6784\u8c61\u4e0e\u00a0<strong>FlexX\u00a0<\/strong>\u4ea7\u751f\u7684\u6700\u4f73\u5bf9\u63a5\u6784\u8c61\u4e00\u81f4\u3002<\/p>\n<section><strong>\u5e95\u7269\u86cb\u767d\u4e3a\u4e86\u4e0e\u9499\u86cb\u767d\u9176\u7ed3\u5408\uff0c\u5e94\u8be5\u662f\u975e\u7ed3\u6784\u5316\u7684\u3002<\/strong><strong>\u5982\u679c\u6709\u87ba\u65cb\u6216\u6298\u53e0\u7247\u7b49\u7ed3\u6784\u5316\u57df\uff0c\u5b83\u4f1a\u9002\u5f53\u5c55\u5f00\u4ee5\u548c\u9499\u86cb\u767d\u9176\u7ed3\u5408\u3002\u52a8\u529b\u5b66\u6a21\u62df\u8868\u660e\uff0c\u8bbe\u8ba1\u7684\u5316\u5408\u7269\u76f8\u5bf9\u7a33\u5b9a\u4e86p35\u7684\u67d0\u4e2a\u87ba\u65cb\uff0c\u4ece\u800c\u4f7fp35\u65e0\u6cd5\u9002\u5e94\u548c\u9499\u86cb\u767d\u9176\u7684\u7ed3\u5408\u3002<\/strong><\/section>\n<section><\/section>\n<section><strong>03<\/strong><\/section>\n<p><strong>\u5e72\u8bd5\u9a8c\u5230\u6e7f\u8bd5\u9a8c\u7684\u8f6c\u53d8<\/strong><\/p>\n<section>\u7531\u4e8e\u4e09\u79cd\u652f\u67b6\u5bf9\u5e94\u884d\u751f\u7269\u7684\u5206\u5b50\u5bf9\u63a5\u3001\u5206\u5b50\u52a8\u529b\u5b66\u548c\u836f\u4ee3\u52a8\u529b\u5b66\u6027\u8d28\u9884\u6d4b\u826f\u597d\uff0c\u7814\u7a76\u4eba\u5458\u901a\u8fc7SwissADME\u3001SCScore\u548cSpaya AI\u9884\u6d4b\u4e86\u5b83\u4eec\u7684\u5408\u6210\u53ef\u884c\u6027\u3002<\/section>\n<p><strong>\u6700\u7ec8\uff0c\u901a\u8fc7\u00a0SeeSAR \u7684 Inspirator \u6a21\u5f0f\u6307\u5bfc\u7684\u5927\u91cf\u5316\u5408\u7269\u7684\u7ed3\u6784\u4f18\u5316<\/strong>\uff0c\u4f7f\u5316\u5408\u7269\u8fbe\u5230\u4e86\u5408\u7406\u7684\u7efc\u5408\u6027\u5206\u6570\uff0c\u5e76\u6839\u636e Reaxys \u6570\u636e\u5e93\u7684\u5efa\u8bae\u8bbe\u8ba1\u4e86\u7efc\u5408\u65b9\u6848\uff0c\u8d2d\u4e70\u8d77\u59cb\u6750\u6599\uff0c\u5f00\u59cb\u4e86\u5b9e\u9645\u7684\u5408\u6210\u8fc7\u7a0b\u3002<\/p>\n<\/div><div class=\"fusion-image-element \" style=\"--awb-caption-title-font-family:var(--h2_typography-font-family);--awb-caption-title-font-weight:var(--h2_typography-font-weight);--awb-caption-title-font-style:var(--h2_typography-font-style);--awb-caption-title-size:var(--h2_typography-font-size);--awb-caption-title-transform:var(--h2_typography-text-transform);--awb-caption-title-line-height:var(--h2_typography-line-height);--awb-caption-title-letter-spacing:var(--h2_typography-letter-spacing);\"><span class=\" fusion-imageframe imageframe-none imageframe-3 hover-type-none\"><img decoding=\"async\" width=\"1075\" height=\"745\" title=\"\u5fae\u4fe1\u56fe\u7247_20220323165818\" src=\"data:image\/svg+xml,%3Csvg%20xmlns%3D%27http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%27%20width%3D%271075%27%20height%3D%27745%27%20viewBox%3D%270%200%201075%20745%27%3E%3Crect%20width%3D%271075%27%20height%3D%27745%27%20fill-opacity%3D%220%22%2F%3E%3C%2Fsvg%3E\" 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href=\"https:\/\/www.biosolveit.de\/scientific-challenge\/\"><\/a><\/div><\/div><\/div><\/div>\n","protected":false},"excerpt":{"rendered":"<p>2021\u6625\u5b63\u79d1\u5b66\u6311\u6218\u676f\u6700\u7ec8\u83b7\u80dc\u9879\u76ee\u8fd1\u65e5\u516c\u5e03<\/p>\n","protected":false},"author":2,"featured_media":4769,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[70,74],"tags":[],"class_list":["post-3859","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-latest-publications","category-74"],"_links":{"self":[{"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=\/wp\/v2\/posts\/3859","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=3859"}],"version-history":[{"count":27,"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=\/wp\/v2\/posts\/3859\/revisions"}],"predecessor-version":[{"id":4787,"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=\/wp\/v2\/posts\/3859\/revisions\/4787"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=\/wp\/v2\/media\/4769"}],"wp:attachment":[{"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=3859"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=3859"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.moldesigner.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=3859"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}