文章基本信息

标题：Computational View toward the Inhibition of SARS-CoV-2 Spike Glycoprotein and the 3CL Protease
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作者：Zhen Qiao ; Hongtao Zhang ; Hai-Feng Ji 等
期刊名称：Computation
电子版ISSN：2079-3197
出版年度：2020
卷号：8
期号：2
页码：53-61
DOI：10.3390/computation8020053
出版社：MDPI Publishing
摘要：Since the outbreak of the 2019 novel coronavirus disease (COVID-19), the medical research community is vigorously seeking a treatment to control the infection and save the lives of severely infected patients. The main potential candidates for the control of viruses are virally targeted agents. In this short letter, we report our calculations on the inhibitors for the SARS-CoV-2 3CL protease and the spike protein for the potential treatment of COVID-19. The results show that the most potent inhibitors of the SARS-CoV-2 3CL protease include saquinavir, tadalafil, rivaroxaban, sildenafil, dasatinib, etc. Ergotamine, amphotericin b, and vancomycin are most promising to block the interaction of the SARS-CoV-2 S-protein with human ACE-2.
关键词：COVID-19; coronavirus; protease; spike protein; computational; inhibition COVID-19 ; coronavirus ; protease ; spike protein ; computational ; inhibition