{"id":36381,"date":"2025-01-10T10:00:11","date_gmt":"2025-01-10T02:00:11","guid":{"rendered":"https:\/\/17aitech.com\/?p=36381"},"modified":"2025-01-10T10:00:11","modified_gmt":"2025-01-10T02:00:11","slug":"nature-%e5%ad%90%e5%88%8a%ef%bc%8c%e5%8c%96%e5%ad%a6%e8%af%ad%e8%a8%80%e6%a8%a1%e5%9e%8b%e8%87%aa%e5%8a%a8%e8%ae%be%e8%ae%a1%e5%a4%9a%e9%9d%b6%e7%82%b9%e9%85%8d%e4%bd%93","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=36381","title":{"rendered":"Nature \u5b50\u520a\uff0c\u5316\u5b66\u8bed\u8a00\u6a21\u578b\u81ea\u52a8\u8bbe\u8ba1\u591a\u9776\u70b9\u914d\u4f53"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:Nature \u5b50\u520a\uff0c\u5316\u5b66\u8bed\u8a00\u6a21\u578b\u81ea\u52a8\u8bbe\u8ba1\u591a\u9776\u70b9\u914d\u4f53<\/a><\/p>\n

<\/a><\/p>\n

\u7f16\u8f91 |\u00a0KX<\/p>\n

\u751f\u6210\u5f0f\u6df1\u5ea6\u5b66\u4e60\u6a21\u578b\u5df2\u7528\u4e8e\u5206\u5b50\u4ece\u5934\u8bbe\u8ba1\u3002\u5316\u5b66\u8bed\u8a00\u6a21\u578b\uff08CLM\uff09\u53ef\u7528\u4e8e\u81ea\u52a8\u8bbe\u8ba1\u5177\u6709\u6240\u9700\u5c5e\u6027\u7684\u5206\u5b50\u3002<\/p>\n

\u5728\u6b64\uff0c\u5fb7\u56fd\u7684\u7814\u7a76\u4eba\u5458\u63a2\u8ba8\u4e86 CLM \u5728\u591a\u836f\u7406\u5b66\u8bbe\u8ba1\u4e2d\u751f\u6210\u591a\u9776\u6807\u914d\u4f53\u4e2d\u7684\u5e94\u7528\u3002<\/p>\n

\u7814\u7a76\u4eba\u5458\u5229\u7528 CLM \u4ece\u5c0f\u5206\u5b50\u5fae\u8c03\u96c6\u4e2d\u5b66\u4e60\u7684\u80fd\u529b\uff0c\u5e76\u6210\u529f\u5730\u5c06\u6a21\u578b\u504f\u5411\u4e8e\u8bbe\u8ba1\u4e0e\u9776\u6807\u5bf9\u7684\u5df2\u77e5\u914d\u4f53\u76f8\u4f3c\u7684\u7c7b\u836f\u7269\u5206\u5b50\u3002<\/p>\n

\u7ecf\u8fc7\u5408\u5e76\u5fae\u8c03\u540e\u4ece CLM \u83b7\u5f97\u7684\u8bbe\u8ba1\u9884\u6d4b\u5bf9\u4e24\u79cd\u76ee\u6807\u86cb\u767d\u5747\u6709\u6d3b\u6027\uff0c\u5e76\u4e14\u5728\u4e00\u4e2a\u5206\u5b50\u4e2d\u5305\u542b\u4e24\u79cd\u9776\u6807\u7684\u914d\u4f53\u7684\u836f\u6548\u56e2\u5143\u7d20\u3002<\/p>\n

\u5bf9\u516d\u4e2a\u9776\u6807\u5bf9\u7684\u5341\u4e8c\u79cd\u8ba1\u7b97\u4e0a\u6709\u5229\u7684 CLM \u8bbe\u8ba1\u7684\u5408\u6210\u548c\u6d4b\u8bd5\u8868\u660e\uff0c\u6240\u6709\u9009\u5b9a\u7684\u8bbe\u8ba1\u90fd\u5bf9\u81f3\u5c11\u4e00\u79cd\u9776\u6807\u86cb\u767d\u8d28\u5177\u6709\u9ad8\u8fbe\u4e24\u4f4d\u6570\u7eb3\u6469\u5c14\u6548\u529b\u7684\u8c03\u8282\u4f5c\u7528\uff0c\u5e76\u786e\u8ba4\u4e03\u79cd\u5316\u5408\u7269\u4e3a\u8bbe\u8ba1\u7684\u53cc\u914d\u4f53\u3002\u8fd9\u4e9b\u7ed3\u679c\u8bc1\u5b9e\u4e86 CLM \u591a\u9776\u6807\u4ece\u5934\u8bbe\u8ba1\u662f\u836f\u7269\u53d1\u73b0\u521b\u65b0\u7684\u6e90\u6cc9\u3002<\/p>\n

\u76f8\u5173\u7814\u7a76\u4ee5\u300aAutomated design of multi-target ligands by generative deep learning<\/em>\u300b\u4e3a\u9898\uff0c\u53d1\u8868\u5728\u300aNature Communications<\/em>\u300b\u4e0a\u3002<\/p>\n

<\/a><\/p>\n

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.nature.com\/articles\/s41467-024-52060-8<\/em><\/p>\n

AI \u52a0\u901f\u836f\u7269\u7814\u53d1<\/strong><\/p>\n

\u4ee3\u8c22\u7efc\u5408\u5f81 (MetS) \u548c\u6162\u6027\u708e\u75c7\u6027\u7b49\u75be\u75c5\u90fd\u662f\u7531\u591a\u79cd\u56e0\u7d20\u5bfc\u81f4\u7684\uff0c\u6d89\u53ca\u591a\u79cd\u4fe1\u53f7\u7cfb\u7edf\u6216\u4ee3\u8c22\u9014\u5f84\u7684\u5931\u8c03\u3002\u867d\u7136\u591a\u56e0\u7d20\u75be\u75c5\u548c\u591a\u91cd\u75c5\u75c7\u7684\u6cbb\u7597\u65b9\u6848\u4e25\u91cd\u4f9d\u8d56\u4e8e\u836f\u7269\u7ec4\u5408\uff08\u4e5f\u79f0\u4e3a\u591a\u836f\u6cbb\u7597\uff09\uff0c\u8bbe\u8ba1\u591a\u836f\u7406\u5b66\uff0c\u53ef\u4ee5\u5b9e\u73b0\u534f\u540c\u4f5c\u7528\uff0c\u6539\u5584\u6cbb\u7597\u7ed3\u679c\uff0c\u5e76\u514b\u670d\u591a\u836f\u6cbb\u7597\u3002<\/p>\n

\u7136\u800c\uff0c\u8bbe\u8ba1\u9488\u5bf9\u51e0\u79cd\u9776\u6807\u86cb\u767d\u8d28\u8868\u73b0\u51fa\u5f3a\u6548\u6d3b\u6027\u7684\u5206\u5b50\u5177\u6709\u6311\u6218\u6027\u3002\u673a\u5668\u5b66\u4e60\u8d8a\u6765\u8d8a\u591a\u5730\u7528\u4e8e\u52a0\u901f\u836f\u7269\u7814\u53d1\uff0c\u4e5f\u53ef\u80fd\u6709\u52a9\u4e8e\u8bbe\u8ba1\u591a\u9776\u70b9\u836f\u7269\u7684\u53d1\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1a\u4ee3\u8c22\u7efc\u5408\u5f81\u548c CLM \u5728\u591a\u9776\u6807\u4ece\u5934\u8bbe\u8ba1\u4e2d\u7684\u5e94\u7528\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u5316\u5b66\u8bed\u8a00\u6a21\u578b\uff08CLM\uff09\u662f\u7ecf\u8fc7\u8bad\u7ec3\u7684\u6df1\u5ea6\u5b66\u4e60\u6a21\u578b\uff0c\u7528\u4e8e\u6355\u83b7\u5206\u5b50\u7684\u5b57\u7b26\u4e32\u8868\u793a\uff08\u5373 SMILES\uff09\uff0c\u53ef\u7528\u4e8e\u81ea\u52a8\u8bbe\u8ba1\u5177\u6709\u6240\u9700\u5c5e\u6027\u7684\u5206\u5b50\u3002CLM \u5df2\u6210\u529f\u7528\u4e8e\u5177\u6709\u9884\u671f\u751f\u7269\u6d3b\u6027\u7684\u65b0\u5316\u5b66\u5b9e\u4f53\u7684\u4ece\u5934\u8bbe\u8ba1\uff0c\u5e76\u80fd\u591f\u5728\u5316\u5b66\u7a7a\u95f4\u4e2d\u5bfc\u822a\u4ee5\u83b7\u5f97\u91cf\u8eab\u5b9a\u5236\u7684\u5206\u5b50\u8bbe\u8ba1\u3002<\/p>\n

\u4f7f\u7528 CLM \u7684\u6570\u636e\u9a71\u52a8\u4ece\u5934\u8bbe\u8ba1\u65b9\u6cd5\u662f\u300c\u65e0\u89c4\u5219\u7684\u300d\uff0c\u56e0\u4e3a CLM \u80fd\u591f\u4ece\u8bad\u7ec3\u5206\u5b50\u4e2d\u63d0\u53d6\u76f8\u5173\u7279\u5f81\uff0c\u4f8b\u5982\u751f\u7269\u6d3b\u6027\u3002\u56e0\u6b64\uff0cCLM \u8fd8\u53ef\u4ee5\u901a\u8fc7\u8bbf\u95ee\u4e24\u79cd\u86cb\u767d\u8d28\u914d\u4f53\u5171\u540c\u7684\u5316\u5b66\u7a7a\u95f4\u533a\u57df\u6765\u5b8c\u6210\u591a\u9776\u70b9\u8bbe\u8ba1\u7684\u4efb\u52a1\u3002<\/p>\n

CLM \u81ea\u52a8\u8bbe\u8ba1\u591a\u9776\u70b9\u914d\u4f53<\/strong><\/p>\n

\u5728\u8be5\u7814\u7a76\u4e2d\uff0c\u7814\u7a76\u4eba\u5458\u7cfb\u7edf\u5730\u8bc4\u4f30\u548c\u4f18\u5316\u4e86 CLM \u7684\u5e94\u7528\uff0c\u6765\u8bbe\u8ba1\u611f\u5174\u8da3\u7684\u86cb\u767d\u8d28\u5bf9\u7684\u53cc\u914d\u4f53\u3002<\/p>\n

\u91cd\u70b9\u7814\u7a76\u4e86\u5728 MetS \u76f8\u5173\u75be\u75c5\u4e2d\u5177\u6709\u5df2\u8bc1\u5b9e\u4f5c\u7528\u7684\u516d\u4e2a\u9776\u6807\u7684\u7ec4\u5408\uff1a<\/p>\n

(1) \u8840\u7ba1\u7d27\u5f20\u7d20 II \u53d7\u4f53 1 \u578b (AT1)\uff0c\u5b83\u5728\u5fc3\u8840\u7ba1\u7cfb\u7edf\u4e2d\u53d1\u6325\u5173\u952e\u4fe1\u53f7\u4f20\u5bfc\u4f5c\u7528\uff1b<\/p>\n

(2)\u00a0\u6cd5\u5c3c\u9187\u00a0X \u53d7\u4f53 (FXR)\uff0c\u4e00\u79cd\u91cd\u8981\u7684\u4fdd\u809d\u8f6c\u5f55\u56e0\u5b50\u548c\u4ee3\u8c22\u8c03\u8282\u5242\uff1b<\/p>\n

(3) \u6e38\u79bb\u8102\u80aa\u9178\u53d7\u4f53 1 (FFAR1\u3001GPR40)\uff0c\u53c2\u4e0e\u80f0\u5c9b\u7d20\u548c\u80a0\u9053\u6fc0\u7d20\u5206\u6ccc\u7684\u63a7\u5236\uff1b<\/p>\n

(4) \u8fc7\u6c27\u5316\u7269\u9176\u4f53\u589e\u6b96\u6fc0\u6d3b\u53d7\u4f53 \u03b4 (PPAR\u03b4)\uff0c\u5b83\u662f\u591a\u79cd\u7ec4\u7ec7\u4e2d\u8102\u8d28\u548c\u8461\u8404\u7cd6\u4ee3\u8c22\u7684\u4e3b\u8981\u8c03\u8282\u5242\uff1b<\/p>\n

(5) \u7532\u72b6\u817a\u6fc0\u7d20\u53d7\u4f53 \u03b2 (THR\u03b2)\uff0c\u4f5c\u4e3a\u975e\u9152\u7cbe\u6027\u8102\u80aa\u809d\u75be\u75c5\u7684\u9776\u6807\u6b63\u5728\u8bc4\u4f30\u4e2d\uff1b<\/p>\n

(6) \u53ef\u6eb6\u6027\u73af\u6c27\u5316\u7269\u6c34\u89e3\u9176 (sEH)\uff0c\u5b83\u4e0e\u5fc3\u8840\u7ba1\u548c\u708e\u75c7\u75be\u75c5\u6709\u5173\u3002<\/p>\n

\u8fd9\u4e9b\u9776\u6807\u6db5\u76d6\u4e86\u5e7f\u6cdb\u7684\u86cb\u767d\u8d28\u5bb6\u65cf\uff0c\u5373 G \u86cb\u767d\u5076\u8054\u53d7\u4f53 (AT1\u3001FFAR1)\u3001\u6838\u53d7\u4f53 (FXR\u3001PPAR\u03b4\u3001THR\u03b2) \u548c\u9176 (sEH)\uff0c\u8fd9\u4e9b\u86cb\u767d\u8d28\u7684\u914d\u4f53\u5177\u6709\u6cbb\u7597\u76f8\u5173\u6027\u6216\u5df2\u9488\u5bf9\u4e0e MetS \u76f8\u5173\u7684\u75be\u75c5\u8fdb\u884c\u4e86\u4e34\u5e8a\u8bc4\u4f30\u3002\u503c\u5f97\u6ce8\u610f\u7684\u662f\uff0c\u4e00\u4e9b\u5df2\u6279\u51c6\u7684\u836f\u7269\u9009\u62e9\u6027\u5730\u9776\u5411\u5176\u4e2d\u4e00\u79cd\u86cb\u767d\u8d28\uff0c\u7ecf\u5e38\u5728\u8054\u5408\u6cbb\u7597\u4e2d\u4e00\u8d77\u4f7f\u7528\uff0c\u8fd9\u51f8\u663e\u4e86\u8bbe\u8ba1\u53cc\u914d\u4f53\u5728 MetS \u4e2d\u7684\u6f5c\u529b\u3002<\/p>\n

<\/a><\/p>\n

\u56fe\u793a\uff1aCLM \u8bbe\u8ba1\u7684\u53cc\u914d\u4f53\u7684\u7279\u5f81\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u7814\u7a76\u4eba\u5458\u8bad\u7ec3 CLM \u751f\u6210\u516d\u4e2a\u9776\u6807\u5bf9\u7684\u53cc\u914d\u4f53\uff0c\u5e76\u5408\u6210\u4e86\u6392\u540d\u9760\u524d\u7684\u5019\u9009\u7269\u8fdb\u884c\u524d\u77bb\u6027\u9a8c\u8bc1\u3002\u6240\u6709\u5341\u4e8c\u79cd CLM \u8bbe\u8ba1\u7684\u5316\u5408\u7269\u90fd\u5728\u81f3\u5c11\u4e00\u4e2a\u9884\u671f\u9776\u6807\u8868\u73b0\u51fa\u751f\u7269\u6d3b\u6027\uff0c\u5e76\u6210\u529f\u83b7\u5f97\u4e86\u4e09\u4e2a\u9776\u6807\u5bf9\u7684\u4e03\u79cd\u53cc\u91cd\u8c03\u8282\u5242\u3002<\/p>\n

\u8fd9\u4e9b\u7ed3\u679c\u5f3a\u8c03\u4e86 CLM \u5728\u8bbf\u95ee\u5316\u5b66\u7a7a\u95f4\u6240\u9700\u533a\u57df\u65b9\u9762\u7684\u4ef7\u503c\uff0c\u5e76\u8bc1\u5b9e\u4e86\u5b83\u4eec\u5728\u591a\u9776\u6807\u914d\u4f53\u7684\u81ea\u52a8\u4ece\u5934\u8bbe\u8ba1\u4e2d\u7684\u5e94\u7528\u3002<\/p>\n

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