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...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,3 D optimized structures of drugs and algorithm-based ligand inhibitory potential.Results:Teicoplanin,azithromycin,and remdesivir potentially inhibited NSP9(Dock-score 9620,5472 and 6252,respectively),NSP3(Dock-score 9846,5604 and 5548,respectively)and NSP15(Dock-score 10960,6414 and 6002,respectively).Conclusions:Teicoplanin acts as a significant receptor antagonist and potentially inhibits the SARS CoV-2 enzymes.展开更多
基金supported by Institute of Chemistry,University of the Punjab Lahore,Pakistan
文摘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,3 D optimized structures of drugs and algorithm-based ligand inhibitory potential.Results:Teicoplanin,azithromycin,and remdesivir potentially inhibited NSP9(Dock-score 9620,5472 and 6252,respectively),NSP3(Dock-score 9846,5604 and 5548,respectively)and NSP15(Dock-score 10960,6414 and 6002,respectively).Conclusions:Teicoplanin acts as a significant receptor antagonist and potentially inhibits the SARS CoV-2 enzymes.
