Teicoplanin is a potential inhibitor of SARS CoV-2 replication enzymes: A docking study
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 t...
Published in: | Asian Pacific Journal of Tropical Biomedicine |
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Main Authors: | , , |
Format: | Article in Journal/Newspaper |
Language: | English |
Published: |
Wolters Kluwer Medknow Publications
2020
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Subjects: | |
Online Access: | https://doi.org/10.4103/2221-1691.294093 https://doaj.org/article/466b2dd3c4ce4a189651a57c6a6dc062 |
Summary: | 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, 6414 and 6 002, respectively). Conclusions: Teicoplanin acts as a significant receptor antagonist and potentially inhibits the SARS CoV-2 enzymes. |
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