TY - JOUR ID - 46320 TI - Virtual Screening and Molecular Docking of FDA Approved Antiviral Drugs for the Identification of Potential Inhibitors of SARS-CoV-2 RNA-MTase Protein JO - International Journal of Advanced Biological and Biomedical Research JA - IJABBR LA - en SN - 2383-2762 AU - Jaan, Samavia AU - Waheed, Sara AU - Bashir, Sidra AU - Javed, Muhammad Sameem AU - Amjad, Adnan AU - Nishan, Umar AU - Nawaz, Haq AU - Shah, Mohibullah AD - Department of Biochemistry, Bahauddin Zakariya University, Multan, Multan-66000, Pakistan AD - Institute of Food Science & Nutrition, Bahauddin Zakariya University, Multan, Multan-66000, Pakistan AD - Department of Chemistry, Kohat University of Science and Technology, Kohat, Kohat-26080 KP, Pakistan Y1 - 2021 PY - 2021 VL - 9 IS - 1 SP - 105 EP - 118 KW - Antiviral drug KW - COVID-19 KW - SARS-CoV-2 KW - Novel coronavirus KW - Nsp10-Nsp16 DO - 10.22034/ijabbr.2021.46320 N2 - Background: SARS-CoV-2 is a novel coronavirus discovered in December 2019 and is responsible for pandemic disease COVID-19. In the absence of any available vaccines or drugs to combat the virus, it has caused enormous damage. Methods: An in-silico docking approach was applied to determine potential inhibitors of SARS-CoV-2 RNA-MTase by screening against a ligand library of FDA approved antiviral compounds. Results: Ten compounds including Daclatasvir, Pibrentasvir, Tenofovir, Velpatasvir, Grazoprevir, Ledipasvir, Elbasvir, Delavirdine, Nilutamide, and Ribavirin triphosphate showed a strong binding affinity with RNA-MTase of which Daclatasvir and Pibrentasvir exhibited the highest affinity.  Moreover, Daclatasvir, Grazoprevir, and Tenofovir, which have recently been reported to have a binding affinity with other SARS-CoV-2 proteins, showed good binding interactions with RNA-MTase, suggesting a role to act as dual inhibitors. Conclusion: The suggested antiviral compounds can tightly bind to RNA-MTase of SARS-Cov-2 and thus have the potential to be used against this deadly virus. Importantly, as FDA already approved, these drugs do not need to undergo toxicity evaluation. UR - https://www.ijabbr.com/article_46320.html L1 - https://www.ijabbr.com/article_46320_afaaf7df08e456d8933d1ef8348171fe.pdf ER -