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Anisodamine potently inhibits SARS-CoV-2 infection in vitro and targets its main protease

文献类型： 外文期刊

作者： Wei, Wei 1 ; Kong, Ni 1 ; Liu, Meng-Zhen 1 ; Han, Ting 1 ; Xu, Jun-Feng 2 ; Liu, Chong 1 ;

作者机构： 1.Naval Med Univ Second Mil Med Univ, Dept Pharm, Shanghai 200433, Peoples R China

2.Zhejiang Acad Agr Sci, Inst Agroprod Safety & Nutr, State Key Lab Managing Biot & Chem Threats Qual &, Hangzhou 310021, Peoples R China

关键词： SARS-CoV-2; Anisodamine; Viral infection; Main protease; Molecular docking

期刊名称：BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS （ 影响因子：3.322； 五年影响因子：3.498 ）

ISSN： 0006-291X

年卷期： 2022 年 616 卷

页码：

收录情况： SCI

摘要： Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) provoked a pandemic of acute respiratory disease, namely coronavirus disease 2019 (COVID-19). Currently, effective drugs for this disease are urgently warranted. Anisodamine is a traditional Chinese medicine that is predicted as a potential therapeutic drug for the treatment of COVID-19. Therefore, this study aimed to investigate its antiviral activity and crucial targets in SARS-CoV-2 infection. SARS-CoV-2 and anisodamine were co-cultured in Vero E6 cells, and the antiviral activity of anisodamine was assessed by immunofluorescence assay. The antiviral activity of anisodamine was further measured by pseudovirus entry assay in HEK293/hACE2 cells. Finally, the predictions of crucial targets of anisodamine on SARS-CoV-2 were analyzed by molecular docking studies. We discovered that anisodamine suppressed SARS-CoV-2 infection in Vero E6 cells, and reduced the SARS-CoV-2 pseudovirus entry to HEK293/hACE2 cells. Furthermore, molecular docking studies indicated that anisodamine may target SARS-CoV-2 main protease (Mpro) with the docking score of -6.63 kcal/mol and formed three H-bonds with Gly143, Cys145, and Cys44 amino acid residues at the predicted active site of Mpro. This study suggests that anisodamine is a potent antiviral agent for treating COVID-19. (C)) 2022 Elsevier Inc. All rights reserved.

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