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Updated: Jun 12, 2025

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通过基于深度对接,药模拟和分子动力学模拟的组合策略发现选择性ACAT2抗剂

Yanfeng Liu1,2,3, Feng Ding4, Liangying Deng1

  • 1Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing, China.

Journal of enzyme inhibition and medicinal chemistry
|September 24, 2024
PubMed
概括

研究人员通过虚拟查工作流程确定了针对Acy-CoA:胆固醇乙烯转移酶2 (ACAT2) 的新型抑制剂. 这些化合物有望通过选择性抑制ACAT2.2,治疗高胆固醇和动脉样硬化.

关键词:
乙烯基-CoA:胆固醇乙烯基转移酶.深度对接 深度对接分子动力学模拟模拟制药器模型的制药模型.选择性抑制剂 选择性抑制剂

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