Fig. 6.

Molecular docking studies of gallic acid derivatives against Nidoviral RNA uridylate-specific endoribonuclease, NSP15 (NendoU) of SARS-Cov-2. a Protocol validation of Molecular Docking experiment using AutoDock Vina, PyMOL, and LigPlot⁺. (a) Comparison of binding modes for re-docked ligand (red) vs. co-crystalized ligand (cyan) shown as stick representation. Amino acid residues interaction with (b) co-crystalized and (c) re-docked ligand accomplished in LigPlot⁺. b Binding mode and molecular interaction of hit ligands with NendoU. (a) Surface representation of NendoU (PDB: 6VWW) show the binding mode of docked 4-O-(6-galloylglucoside) (green), and dexamethasone (pink). 2D interaction of (b) 4-O-(6-galloylglucoside) and (c) dexamethasone