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通过基于结构的虚拟查和多变量分析,以组合化学驱动的In silico设计和对共价型SARS-CoV-2主要蛋白酶抑制剂的计算评估

Alessia Bono1, Gabriele La Monica1, Federica Alamia1

  • 1Dipartimento di Scienze e Technologie Biologiche Chimiche e Farmaceutiche "STEBICEF" - University of Palermo, Viale delle Scienze - Ed. 17, 90128, Palermo, Italy.

Journal of molecular graphics & modelling
|June 4, 2025
PubMed
概括

新的计算方法确定了针对SARS-CoV-2主蛋白酶 (MPRO) 的强有力的共价抑制剂,这对病毒复制至关重要. 这些模仿化合物显示出作为新型抗病毒疗法对抗COVID-19的承诺.

关键词:
在 COVID-19 疫情中,催化氨酸的催化氨酸.协同抑制剂 协同抑制剂电友核弹头是一种电友核弹头.M(PRO) 的使用情况.这就是SARS-CoV-2病毒.

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