Oleanolic Acid, Ursolic Acid and Apigenin from Ocimum basilicum as Potential Inhibitors of the SARS-CoV-2 Main Protease: A Molecular Docking Study

Aim: The present study aims at identifying potential inhibitors from a set of ten compounds Ocimum basilicum against the SARS-CoV-2 main protease, chymotrypsin-like protease (3CLpro).
 Materials and Methods: Computational studies by molecular docking (Autodock tool) were used to obtain scoring function phytochemicals in interaction with protease. pharmacokinetic behavior high-docking score was addressed using SwissADME pkCSM webservers.
 Results: Three ligands identified as hit mainly oleanolic acid (-8.55 kcal/mol), ursolic (-8.21 kcal/mol) apigenin (-7.52 kcal/mol). Their profile revealed that they have good therapeutic druggability safe. biological activities three especially their anti-inflammatory properties relation excessive production proinflammatory cytokines most severe form COVID-19 also highlighted. 
 Conclusion: outbreak is serious public health threat requires immediate action. In order combat this pandemic, several strategies are identification virus one widely strategies. Here, plant (leaves) pinpointed. Further in-vitro in-vivo needed will clarify role for management disease.