Exploring the new potential antiviral constituents of Moringa oliefera for SARS-COV-2 pathogenesis: An molecular docking and dynamic studies.

The interactions of two crucial proteins of COVID-19 have been investigated with potential antiviral compounds from using quantum chemical, molecular docking and dynamic methods. The results of the present investigation show that ellagic acid and apigenin possess the highest binding affinities of -7.1 and -6.5 Kcal.molagainst nsp9 and -6.9 and -7.1 Kcal.mol against nsp10, respectively. The dynamic behavior of individual proteins and their respective best docked ligand-protein complexes are also studied at 30 ns timescale. Both of these compounds also show the highest intestinal absorption and total clearance rate as compared to the other compounds under present investigation without any toxicity.