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Updated: Jun 22, 2025

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在SARS-CoV-2中PLpro的活性位点内探索共价抑制剂的结合动力学

Deepesh Kumar Patel1, Harish Kumar1, M Elizabeth Sobhia1

  • 1Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S.A.S. Nagar, Mohali, Punjab 160062, India.

Computational biology and chemistry
|July 3, 2024
PubMed
概括

研究人员确定了潜在的COVID-19药物,其向的是SARS-CoV-2的帕帕因类蛋白酶 (PLpro). 这种蛋白酶对于病毒复制至关重要,其活性位点在各个变异中保持不变,为新的共价抑制剂提供了一致的治疗标.

关键词:
协价结合是一种共价结合.药物重新定位是药物重新定位.分子动力学分子动力学帕帕因类蛋白酶 (PL(pro)) 是一种类似于帕帕因的蛋白酶.这就是SARS-CoV-2病毒.

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