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在中识别SARS-Cov-2帕帕因样蛋白酶抑制化合物

Kazunori Miwa1, Yan Guo1, Masayuki Hata2

  • 1Graduate School of Pharmaceutical Sciences, Chiba University.

Chemical & pharmaceutical bulletin
|December 3, 2023
PubMed
概括

计算虚拟查确定了SARS-CoV-2的帕帕因类蛋白酶的五种潜在抑制剂. 这种方法结合了对接模拟和分子力学计算,以实现有效的药物发现.

关键词:
计算选进行了计算选.这是一个对接模拟模拟.抑制剂抑制剂的使用分子力学计算计算分子力学计算帕帕因类蛋白酶是一种类似帕帕因的蛋白酶.严重急性呼吸系统综合征新冠病毒2

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