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通过多层次虚拟查加速架子跳跃进入第四代表皮生长因子受体抑制剂

Zhiqi Sun1, Donghui Huo1, Jiangyu Guo1

  • 1State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, P.O. Box 53, 15 BeiSanHuan East Road, Beijing 100029, P. R. China.

ACS medicinal chemistry letters
|October 15, 2025
PubMed
概括

这项研究开发了一种新的虚拟查方法,以发现抗药性表皮生长因子受体 (EGFR) 突变的抑制剂. 化合物L15有效抑制L858R/T790M/C797S突变EGFR,提供了一种针对癌症抗药性的新策略.

关键词:
在L858R/T790M/C797S突变EGFR中发生突变.皮肤上生长因子受体 (EGFR)分子动力学模拟模拟多任务深度学习虚拟选 虚拟选 虚拟选

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