Molecular Docking Studies of Ocimum Americanum Secondary Metabolites Against SARS-Cov-2 Spike Protein

Introduction and Aim: The outbreak of Covid-19 pandemic since December 2019 has raised serious global health concern. Because rapid human to transmission non-availability clinically proven drugs or vaccines, this created a great threat mankind. Many naturally derived molecules are being investigated for the treatment Covid-19. Ocimum americanum is one such significant medicinal plant possessing variety biological activities. Materials Methods: In present study, seven phytochemicals were selected from O. docked against SARS-CoV-2 spike protein which an important site virus enter host cell. Docking was performed using Autodock Vina ADME properties all these ligands predicted Swiss-ADME tool. bioactivity score also Molinspiration Besides secondary metabolites, analyses well-known antiviral namely lopinavir ritonavir. Results: binding energy obtained docking studies with Lopinavir, Ritonavir, Alpha-farnesene, Beta-farnesene, Eugenol, Linalool, Estragole, Limonene 1,8-Cineole found be -5.2, -5.1, -4.7, -4.5, -4.3, -4.1, -4, -3.9 -3.8 Kcal/Mol respectively. results suggest that follow drug likeness hence they could taken further discovery process. Conclusion: From in silico it can concluded metabolites have potential inhibiting activity SARS-CoV-2. Isolation efficacy vitro may provide insight into fight