Teicoplanin is a potential inhibitor of SARS CoV-2 replication enzymes: A docking study

ABSTRACT

Objective: To explore potential inhibitors of viral enzymes of SARS CoV-2.Methods: The in-silico docked potential of anti-viral, antibiotic, and analgesic drugs were studied for inhibition of the nonstructural protein (NSP) 9, NSP3, and NSP15 of SARS CoV-2 using recent structural peculiarities of these enzymes, 3D optimized structures of drugs and algorithm-based ligand inhibitory potential. Results: Teicoplanin, azithromycin, and remdesivir potentially inhibited NSP9 (Dock-score 9?620, 5?472 and 6?252, respectively), NSP3 (Dock-score 9?846, 5?604 and 5?548, respectively) and NSP15 (Dock-score 10?960, 6?414 and 6?002, respectively). Conclusions: Teicoplanin acts as a significant receptor antagonist and potentially inhibits the SARS CoV-2 enzymes.