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Molecular docking of the ligands into Mpro binding site. (A) the docking of the selected ligands in Mpro binding pocket; (B) Quercetin-3-O-Neohesperidoside seats perfectly in the Mpro binding pocket; (C) interacting atoms of Quercetin-3-O-Neohesperidoside and Mpro residues in the binding pocket. Note: blue lines indicate hydrogen bond interaction; green dotted lines indicate pi-stacking, while gray dotted lines depict hydrophobic interactions.
