Abstract
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 (M pro ) 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 M pro . This study suggests that anisodamine is a potent antiviral agent for treating COVID-19.
Keywords: Anisodamine; Main protease; Molecular docking; SARS-CoV-2; Viral infection.
【저자키워드】 SARS-CoV-2, main protease, molecular docking, Viral infection., Anisodamine, 【초록키워드】 COVID-19, Treatment, coronavirus disease, severe acute respiratory syndrome coronavirus 2, viral infection, Coronavirus disease 2019, coronavirus, pandemic, Antiviral, SARS-COV-2 infection, Infection, molecular docking, Traditional Chinese medicine, antiviral activity, severe acute respiratory syndrome Coronavirus, SARS-CoV-2 main protease, effective drugs, cells, immunofluorescence assay, target, VERO E6 cells, antiviral agent, disease, Amino acid, pseudovirus entry, Anisodamine, acute respiratory disease, Vero E6, active site, acute respiratory syndrome, treatment of COVID-19, acute respiratory syndrome coronavirus, Molecular docking study, M pro, Chinese, HEK293, treating COVID-19, Cys145, molecular docking studies, docking score, Gly143, H-bond, amino acid residue, predicted, analyzed, indicated, reduced, suppressed, co-cultured, effective drug, the SARS-CoV-2, therapeutic drug, 【제목키워드】 protease, in vitro, target, inhibit,