Molecular Docking Studies of Coronavirus Proteins with Medicinal Plant Based Phytochemicals

In this study, we presented an in silico molecular docking between the SARS-CoV-2 four proteins [(a) nucleocapsid protein N-terminal RNA binding domain (6M3M), (b) Nsp9 of SARS CoV-2 (6W4B), (c) The crystal structure COVID-19 main protease apo form (6M03), and (d) Structure 2019-nCoV HR2 Domain (6LVN)] available PDB (Protein Data Bank), medicinal plant-based phytochemicals (retrieved from PubChem database) as ligand molecules i.e. Piperine (Black Pepper), Eugenol (Clove), Alliin (Garlic), Gingerol (Ginger) Curcumin (Turmeric). All these showed good with their respective receptor scores range -8.195 to -5.263. DockThor Portal (a ligand-docking server) which was recently developed published year were used current study. obtained results might help wet lab conditions develop better antiviral compounds against SARS-CoV-2.