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揭示KRAS G12D抑制:从分子动力学到治疗策略

Bamidele Samson Omotara1, Pruthvirajsinh Rajendrasinh Solanki1, Amena Khatun Manica1

  • 1Department of Chemistry, University of New Haven, West Haven, CT, USA.

Journal of biomolecular structure & dynamics
|September 23, 2025
PubMed
概括

研究人员使用分子动力学模拟确定了强大的KRAS G12D抑制剂. THZ835显示出高结合亲和力,而CID_146527942通过独特的盐桥相互作用提供了可比的疗效,为新的癌症疗法铺平了道路.

关键词:
抑制了KRAS G12D的抑制作用抗癌药物设计 抗癌药物设计分子动力学模拟模拟制药器模型的制药模型.虚拟选 虚拟选 虚拟选

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