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Updated: Jun 23, 2025

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通过分子动力学模拟和马尔科夫状态模型阐明的MRTX1133与KRAS G12D结合的途径和机制

Gao Tu1, Yaguo Gong2, Xiaojun Yao3

  • 1Department of Pharmacy, The Second Affiliated Hospital, Army Medical University, 183 Xinqiao Road, Chongqing 400037, China; Dr. Neher's Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Taipa, 999078, Macau.

International journal of biological macromolecules
|June 26, 2024
PubMed
概括

研究人员使用分子动力学模拟来揭示MRTX1133如何与常见的癌症突变KRAS G12D结合. 这项研究揭示了结合途径和关键残留物,有助于基于结构的抗癌药物设计.

关键词:
在KRAS G12D中使用.这是一种MRTX1133抑制剂.模拟分子动力学模拟

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