{"id":35436,"date":"2024-12-25T05:01:05","date_gmt":"2024-12-24T21:01:05","guid":{"rendered":"https:\/\/17aitech.com\/?p=35436"},"modified":"2024-12-25T05:01:05","modified_gmt":"2024-12-24T21:01:05","slug":"%e4%bb%8e%e5%a4%b4%e8%ae%be%e8%ae%a1%e3%80%8c%e8%b6%85%e9%9a%be%e3%80%8d%e7%99%8c%e7%97%87%e6%8a%97%e4%bd%93%ef%bc%8c%e5%a4%a7%e5%8d%ab%e8%b4%9d%e5%85%8b%e5%9b%a2%e9%98%9fai%e7%94%9f%e7%89%a9%e8%ae%a1","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=35436","title":{"rendered":"\u4ece\u5934\u8bbe\u8ba1\u300c\u8d85\u96be\u300d\u764c\u75c7\u6297\u4f53\uff0c\u5927\u536b\u8d1d\u514b\u56e2\u961fAI\u751f\u7269\u8ba1\u7b97\u65b9\u6cd5\u7684\u65b0\u5e94\u7528"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:\u4ece\u5934\u8bbe\u8ba1\u300c\u8d85\u96be\u300d\u764c\u75c7\u6297\u4f53\uff0c\u5927\u536b\u8d1d\u514b\u56e2\u961fAI\u751f\u7269\u8ba1\u7b97\u65b9\u6cd5\u7684\u65b0\u5e94\u7528<\/a><\/p>\n

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

\u7f16\u8f91 | \u841d\u535c\u76ae<\/p>\n

\u539f\u764c\u57fa\u56e0\u00a0Ras \u63a7\u5236\u591a\u79cd\u7ec6\u80de\u5185\u901a\u8def\uff0c\u5177\u6709\u56db\u79cd\u4e3b\u8981\u4e9a\u578b (KRAS4A\u3001KRAS4B\u3001HRAS \u548c NRAS)\uff0c\u5177\u6709\u9ad8\u5ea6\u7684\u5e8f\u5217\u540c\u6e90\u6027\u548c\u76f8\u4f3c\u7684\u4f53\u5916\u751f\u7269\u5316\u5b66\u7279\u6027\u3002<\/p>\n

\u7531\u4e8e\u5b83\u4eec\u4e0e\u4e0d\u540c\u764c\u75c7\u7684\u5173\u8054\u5404\u4e0d\u76f8\u540c\uff0c\u4eba\u4eec\u5bf9\u72ec\u7acb\u7814\u7a76\u5b83\u4eec\u7684\u4f5c\u7528\u6709\u6d53\u539a\u7684\u5174\u8da3\uff0c\u4f46 Ras \u5f02\u6784\u4f53\u7279\u5f02\u6027\u7ed3\u5408\u8bd5\u5242\u5f88\u5c11\uff0c\u56e0\u4e3a\u552f\u4e00\u663e\u8457\u7684\u5e8f\u5217\u5dee\u5f02\u5728\u4e8e\u5b83\u4eec\u65e0\u5e8f\u4e14\u9ad8\u5ea6\u5e26\u7535\u7684 C \u7aef\uff0c\u800c\u8fd9\u4e9b C \u7aef\u5f88\u96be\u5f15\u53d1\u673a\u4f53\u4ea7\u751f\u6297\u4f53\u3002<\/p>\n

\u4e3a\u4e86\u514b\u670d\u8fd9\u4e00\u9650\u5236\uff0c\u534e\u76db\u987f\u5927\u5b66\u5927\u536b\u8d1d\u514b\uff08David Baker\uff09\u56e2\u961f\u4f7f\u7528\u57fa\u4e8e\u6df1\u5ea6\u5b66\u4e60<\/mark>\u7684\u65b9\u6cd5\u4ece\u5934\u8bbe\u8ba1\u9488\u5bf9 KRAS4A\u3001KRAS4B \u548c NRAS \u7684 Ras \u5f02\u6784\u4f53\u7279\u5f02\u6027\u7ed3\u5408\u5242 (RIB)\uff0c\u800c\u4e14\u662f\u4e13\u95e8\u9488\u5bf9 Ras C \u7aef\u7684\u3002<\/p>\n

RIB \u5728\u4f53\u5916\u548c\u7ec6\u80de\u5185\u5747\u80fd\u4ee5\u663e\u8457\u7684\u7279\u5f02\u6027\u4e0e\u5176\u9776\u6807 Ras \u4e9a\u578b\u7ed3\u5408\uff0c\u7834\u574f\u5176\u819c\u5b9a\u4f4d\u5e76\u6291\u5236 Ras \u6d3b\u6027\u3002\u56e0\u6b64\uff0c\u8fd9\u4e9b\u5de5\u5177\u6709\u52a9\u4e8e\u5256\u6790 Ras \u4e9a\u578b\u5728\u751f\u7269\u5b66\u548c\u75be\u75c5\u4e2d\u7684\u72ec\u7279\u4f5c\u7528\u3002<\/p>\n

\u8be5\u7814\u7a76\u4ee5\u300cDe novo design of Ras isoform selective binders<\/em>\u300d\u4e3a\u9898\uff0c\u4e8e 2024 \u5e74 8 \u6708 30 \u65e5\u53d1\u5e03\u5728\u00a0bioRxiv\u00a0<\/em>\u9884\u5370\u5e73\u53f0\u3002<\/p>\n

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

Ras \u5bb6\u65cf GTPases \u8c03\u8282\u4e1d\u88c2\u539f\u6d3b\u5316\u86cb\u767d\u6fc0\u9176 (MAPK) \u548c\u5176\u4ed6\u5bf9\u7ec6\u80de\u751f\u957f\u548c\u5b58\u6d3b\u81f3\u5173\u91cd\u8981\u7684\u7ec6\u80de\u5185\u4fe1\u53f7\u901a\u8def\uff0cRas \u7a81\u53d8\u5728\u8bb8\u591a\u4eba\u7c7b\u764c\u75c7\u4e2d\u5f88\u5e38\u89c1\u3002\u56db\u79cd\u4e3b\u8981\u7684 Ras \u4e9a\u578b\u2014\u2014KRAS4A\u3001KRAS4B\u3001HRAS \u548c NRAS\u2014\u2014\u5177\u6709\u9ad8\u5ea6\u5e8f\u5217\u540c\u6e90\u6027\u548c\u76f8\u4f3c\u7684\u751f\u5316\u7279\u6027\u3002<\/p>\n

\u5c3d\u7ba1\u5b83\u4eec\u6709\u76f8\u4f3c\u4e4b\u5904\uff0c\u4f46\u8fd9\u4e9b\u4e9a\u578b\u5728\u4e0d\u540c\u764c\u75c7\u4e2d\u5b58\u5728\u4e0d\u540c\u7684\u7a81\u53d8\uff0c\u5728\u8010\u836f\u6027\u4e2d\u53d1\u6325\u4e0d\u540c\u7684\u4f5c\u7528\uff0c\u5e76\u4e14\u7531\u4e8e\u5b83\u4eec\u4e0d\u540c\u7684\u65e0\u5e8f\u548c\u9ad8\u5ea6\u5e26\u7535\u7684 C \u672b\u7aef\u800c\u5177\u6709\u4e0d\u540c\u7684\u4e9a\u7ec6\u80de\u4f4d\u7f6e\u3002<\/p>\n

\u867d\u7136 Ras GTPases \u7684\u7ed3\u6784\u90e8\u5206\u5728\u4e3b\u8981 Ras \u4e9a\u578b\u4e2d\u5177\u6709 90% \u7684\u5e8f\u5217\u540c\u6e90\u6027\uff0c\u4f46 C \u672b\u7aef\u7684\u540c\u6e90\u6027\u4ec5\u4e3a 8%\u3002\u6240\u6709\u4e9a\u578b\u90fd\u53ef\u4ee5\u5b9a\u4f4d\u5230\u8d28\u819c\uff0c\u4f46\u662f NRAS\u3001HRAS \u548c KRas4A \u5728\u5176\u9ad8\u53d8 C \u672b\u7aef\u53ef\u9006\u5730\u68d5\u6988\u9170\u5316\uff0c\u4ece\u800c\u5b9e\u73b0\u5185\u819c\u5b9a\u4f4d\u3002<\/p>\n

\u5f00\u53d1 Ras \u5f02\u6784\u4f53\u7279\u5f02\u6027\u6297\u4f53\u7684\u6311\u6218<\/strong><\/p>\n

\u5f00\u53d1 Ras \u5f02\u6784\u4f53\u7279\u5f02\u6027\u6297\u4f53\u4e00\u76f4\u662f\u4e00\u9879\u6311\u6218\uff1b\u73b0\u6709\u7684\u6297\u4f53\u5728\u514d\u75ab\u5370\u8ff9\u5b9e\u9a8c\u4e2d\u901a\u5e38\u4f1a\u4ea7\u751f\u591a\u6761\u5e26\uff0c\u4e0d\u8db3\u4ee5\u8fdb\u884c\u514d\u75ab\u67d3\u8272\u7b49\u66f4\u7075\u654f\u7684\u68c0\u6d4b\u3002<\/p>\n

\u5c3d\u7ba1\u5bf9\u4e0d\u540c Ras \u5f02\u6784\u4f53\u8fdb\u884c\u4e86\u6570\u5341\u5e74\u7684\u7814\u7a76\uff0c\u4f46\u7531\u4e8e\u7f3a\u4e4f\u5f02\u6784\u4f53\u9009\u62e9\u6027\u5206\u5b50\u5de5\u5177\uff08\u4f8b\u5982\u9009\u62e9\u6027\u4eb2\u548c\u8bd5\u5242\uff09\uff0c\u5b83\u4eec\u7684\u5177\u4f53\u4fe1\u53f7\u4f20\u5bfc\u6d3b\u52a8\u548c\u529f\u80fd\u4f5c\u7528\u4ecd\u7136\u4e0d\u6e05\u695a\uff0c\u8fd9\u4f7f\u5f97\u7cbe\u786e\u7684\u529f\u80fd\u7814\u7a76\u53d8\u5f97\u590d\u6742\u3002<\/p>\n

\u86cb\u767d\u8d28\u8bbe\u8ba1\u9886\u57df\u7684\u6700\u65b0\u8fdb\u5c55\u4f7f\u5f97\u7814\u7a76\u4eba\u5458\u80fd\u591f\u8bbe\u8ba1\u9488\u5bf9\u5404\u79cd\u86cb\u767d\u8d28\u9776\u6807\u7684\u7ed3\u5408\u7269\u3002<\/p>\n

\u8bbe\u8ba1 Ras \u5f02\u6784\u4f53\u7279\u5f02\u6027\u7ed3\u5408\u7269\u9700\u8981\u9488\u5bf9\u65e0\u5e8f\u4e14\u9ad8\u5ea6\u5e26\u7535\u7684 Ras C \u7aef\uff0c\u56e0\u4e3a\u5b83\u662f Ras \u5f02\u6784\u4f53\u4e4b\u95f4\u552f\u4e00\u4e0d\u540c\u7684\u533a\u57df\u3002\u7531\u4e8e\u7c98\u5408\u5242\u76f8\u4e92\u4f5c\u7528\u4e0e\u6c34\u76f8\u4e92\u4f5c\u7528\u7684\u751f\u5316\u6311\u6218\uff0c\u9488\u5bf9\u9ad8\u5ea6\u6781\u6027\u7684\u5929\u7136\u86cb\u767d\u8d28\u533a\u57df\uff08\u4f8b\u5982\uff0cKRAS4B \u662f 86% \u6781\u6027\u6b8b\u57fa\u300163% \u5e26\u7535\u6b8b\u57fa\uff09\u4e00\u76f4\u5f88\u56f0\u96be\u3002<\/p>\n

\u4ece\u5934\u8bbe\u8ba1\u65b0\u65b9\u6cd5<\/strong><\/p>\n

\u9488\u5bf9\u9ad8\u6781\u6027\u57df\u6240\u5e26\u6765\u7684\u53e6\u4e00\u4e2a\u6311\u6218\u662f\u7ed3\u5408\u589e\u5f3a\u6c22\u952e\u6216\u76d0\u6865\u6240\u9700\u7684\u7cbe\u786e\u6027\u8d28\uff0c\u5982\u679c\u505a\u4e0d\u5230\u8fd9\u4e00\u70b9\u5c31\u4f1a\u5bfc\u81f4\u76f8\u5f53\u5927\u7684\u7113\u635f\u5931\u3002<\/p>\n

\u8d1d\u514b\u56e2\u961f\u63a8\u65ad\uff0c\u6700\u8fd1\u5f00\u53d1\u7684\u7528\u4e8e\u8bbe\u8ba1\u5185\u5728\u65e0\u5e8f\u533a\u57df\u7ed3\u5408\u7269\u7684\u65b9\u6cd5\uff0c\u53ef\u4ee5\u8bbe\u8ba1\u51fa\u4f18\u4e8e\u76ee\u524d\u53ef\u7528\u6297\u4f53\u7684 Ras \u5f02\u6784\u4f53\u7279\u5f02\u6027\u7ed3\u5408\u7269\u3002\u8fd9\u4e9b\u8bd5\u5242\u53ef\u4ee5\u6210\u4e3a\u5256\u6790\u4e0d\u540c\u5f02\u6784\u4f53\u5728\u7ec6\u80de\u529f\u80fd\u548c\u75be\u75c5\u4e2d\u7684\u4f5c\u7528\u7684\u5b9d\u8d35\u5de5\u5177\u3002<\/p>\n

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

\u56fe\u793a\uff1a\u8ba1\u7b97\u8bbe\u8ba1\u65b9\u6cd5\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u8be5\u56e2\u961f\u63a2\u7d22\u4e86\u4e24\u79cd\u4e0d\u540c\u7684\u86cb\u767d\u8d28\u8bbe\u8ba1\u65b9\u6cd5\u6765\u8bbe\u8ba1 Ras \u5f02\u6784\u4f53\u7279\u5f02\u6027\u7ed3\u5408\u7269 (RIB)\u3002<\/p>\n

\u7b2c\u4e00\u79cd\u65b9\u6cd5\u662f\u5c06\u65e0\u5e8f\u533a\u57df (IDR) \u7684\u5e8f\u5217\u7a7f\u8fc7\u6765\u81ea logos (logos \u5e93 A) \u7684 ~800 \u4e2a\u86cb\u767d\u8d28\u652f\u67b6\uff0c\u8fd9\u4e9b\u652f\u67b6\u5177\u6709\u7279\u5b9a\u7684\u6c28\u57fa\u9178\u8bc6\u522b\u53e3\u888b\uff0c\u8fd9\u4e9b\u53e3\u888b\u6392\u5217\u6210\u7ed3\u5408\u4e00\u7cfb\u5217\u6269\u5c55\u6784\u8c61\u4e2d\u7684\u4e0d\u540c\u5e8f\u5217\u3002<\/p>\n

\u7b2c\u4e8c\u79cd\u65b9\u6cd5\u662f\u901a\u8fc7\u652f\u67b6 RFDiffusion \u4ece\u5305\u542b\u6765\u81ea logos\uff08logos \u5e93 B\uff09\u7684\u5305\u88f9\u652f\u67b6\u7684\u7ea6 200 \u4e2a \u03b2 \u7247\u5c42\u5b50\u96c6\u6216\u4f7f\u7528\u5e8f\u5217\u8f93\u5165 RFdiffusion \u4ece\u968f\u673a\u566a\u58f0\u4e2d\u751f\u6210\u9aa8\u67b6\uff0c\u5176\u4e2d\u7ed3\u5408\u5242\u548c\u9776\u6807\u7684\u9aa8\u67b6\u6784\u8c61\u90fd\u88ab\u5e7f\u6cdb\u91c7\u6837\u3002<\/p>\n

\u5728\u8fd9\u4e24\u79cd\u60c5\u51b5\u4e0b\uff0c\u90fd\u53ef\u4ee5\u901a\u8fc7\u90e8\u5206 RFDiffusion\u3001\u57fa\u5e8f RFDiffusion \u548c\u53c2\u6570<\/mark>\u6270\u52a8\u6765\u4f18\u5316\u70ed\u95e8\u5339\u914d\uff0c\u5e76\u4f7f\u7528 ProteinMPNN \u8bbe\u8ba1\u5e8f\u5217\u3002<\/p>\n

\u6839\u636e Alphfold 2 (AF2) \u9884\u6d4b\u7f6e\u4fe1\u5ea6\u6307\u6807 (pae \u76f8\u4e92\u4f5c\u7528)\u3001\u9884\u6d4b\u7ed3\u5408\u4eb2\u548c\u529b (Rosetta \ud835\udee5\ud835\udee5G) \u4ee5\u53ca\u65e0\u6c22\u7ed3\u5408\u7684\u5185\u90e8\u6781\u6027\u6b8b\u57fa (\u57cb\u85cf\u4e0d\u9971\u548c\u6b8b\u57fa) \u7684\u8303\u56f4\u9009\u62e9\u8bbe\u8ba1\u8fdb\u884c\u5b9e\u9a8c\u8868\u5f81\u3002<\/p>\n

\u901a\u8fc7 Motif RFDiffusion\uff08\u4fdd\u6301\u4e3b\u5e72\u7684\u5b50\u96c6\u56fa\u5b9a\uff09\u3001Partial RFDiffusion\uff08\u7a0d\u5fae\u6539\u53d8\u6574\u4f53\u652f\u67b6\u4e3b\u5e72\uff09\u6216 Parametric Perturbation\uff08\u4ee5\u6307\u5b9a\u7684\u65b9\u5f0f\u65cb\u8f6c\/\u79fb\u52a8\u652f\u67b6\u4e3b\u5e72\u7684\u4e00\u90e8\u5206\uff09\u6765\u4f18\u5316\u80bd\u652f\u67b6\u4e3b\u5e72\u3002<\/p>\n

RIBs \u7684\u8ba1\u7b97\u8bbe\u8ba1<\/strong><\/p>\n

\u6700\u521d\uff0c\u8be5\u56e2\u961f\u5c1d\u8bd5\u4f7f\u7528\u6240\u6709\u65b9\u6cd5\u8bbe\u8ba1\u9488\u5bf9\u6240\u6709 Ras \u5f02\u6784\u4f53\u7684\u7ed3\u5408\u7269\u3002\u4ed6\u4eec\u53d1\u73b0\uff0c\u652f\u67b6\u6cd5\u548c\u5e8f\u5217\u8f93\u5165 RFDiffusion \u65b9\u6cd5\u4e3b\u8981\u4ea7\u751f\u7ed3\u5408\u7269\u9aa8\u67b6\uff0c\u4ece\u800c\u8bf1\u5bfc\u9776\u6807\u7b26\u5408\u89c4\u5219\u7684\u4e8c\u7ea7\u7ed3\u6784\u3002<\/p>\n

\u8fd9\u5bf9 KRAS4A \u548c NRAS C \u7aef\u5f88\u6709\u6548\uff0c\u56e0\u4e3a\u5b83\u4eec\u88ab\u8bf1\u5bfc\u5f62\u6210 \u03b2 \u94fe\uff0c\u5e76\u4e0e\u7ed3\u5408\u5242\u5f62\u6210\u5ef6\u4f38\u7684 \u03b2 \u7247\u5c42\uff0c\u4f46\u5bf9 KRAS4B \u548c HRAS C \u672b\u7aef\u5219\u65e0\u6548\uff0c\u56e0\u4e3a\u5b83\u4eec\u4e0e\u5e38\u89c4\u4e8c\u7ea7\u7ed3\u6784\u7684\u517c\u5bb9\u6027\u8f83\u5dee\uff08KRAS4B \u5177\u6709\u9ad8\u5ea6\u5e26\u7535\u7684 6x \u8d56\u6c28\u9178\u533a\u57df\uff0c\u800c HRAS \u542b\u6709\u51e0\u4e2a\u95f4\u8ddd\u4e0d\u5747\u5300\u7684\u812f\u6c28\u9178\u6b8b\u57fa\uff09\u3002<\/p>\n

\u57fa\u4e8e\u6c28\u57fa\u9178\u8bc6\u522b\u53e3\u888b\u7684\u65b9\u6cd5\u66f4\u80fd\u6210\u529f\u5730\u4e3a\u6240\u6709 Ras \u5f02\u6784\u4f53\u751f\u6210\u826f\u597d\u7684\u8bc4\u5206\u8bbe\u8ba1\uff0c\u56e0\u4e3a\u5b83\u4e0d\u9700\u8981\u76ee\u6807\u4e2d\u7684\u4efb\u4f55\u4e8c\u7ea7\u7ed3\u6784\u503e\u5411\u3002<\/p>\n

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\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.biorxiv.org\/content\/10.1101\/2024.08.29.610300v1.full.pdf<\/em><\/p>\n

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