Inhibitory activity analysis of anti-HCV coumarins against main protease of SARS-COV2 via molecular docking

Document Type : Original Article

Authors

1 Department of analytical chemistry, Faculty of chemistry, University of Mazandaran, Babolsar, Iran

2 Department of analytical chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran

Abstract

The inhibition effect of two dimeric coumarins was validated against main protease of severe acute respiratory syndrome -coronavirus 2 (SARS-COV2) via Molecular docking approach. The phytochemicals 5, 5′-bi (6, 7- dihydroxycoumarin) and 6,6′,7,7′- tetrahydroxy-5,8′- bicoumarin from Viola philippica are inhibitor activity of NS3/4A protease of hepatitis C virus (HCV). The inhibitory for SARS-COV2 main protease estimated by evaluation of binding energy and conformation. The value of predicted binding energy equal -8.07 for 5, 5′-bi (6, 7- dihydroxycoumarin) conform its ability for SARS-COV2 main protease inhibition. This invitro analysis identified the activity of anti-HCV natural inhibitor for SARS-COV2 therapy.

Keywords

Natural Compounds Chemistry
Volume 2, Issue 1
October 2023
Pages 54-59

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