Selection of active antiviral compounds against COVID-19 disease targeting coronavirus endoribonuclease nendou/NSP15 via ligand-based virtual screening and molecular docking
| dc.contributor.author | Joshi, Gaurav | |
| dc.contributor.author | Poduri, Ramarao | |
| dc.date.accessioned | 2024-01-21T10:38:14Z | |
| dc.date.accessioned | 2024-08-13T12:05:08Z | |
| dc.date.available | 2024-01-21T10:38:14Z | |
| dc.date.available | 2024-08-13T12:05:08Z | |
| dc.date.issued | 2020-12-15T00:00:00 | |
| dc.description.abstract | Background: The rapid spread of SARS-CoV-2 has caused havoc and panic among individuals, which has further worsened due to the unavailability of a proven drug(s) regime. Objective: The current work involves drug repurposing from the pool of USFDA approved drugs involving in silico virtual screening technique against COVID-19. Materials and Methods: Methodology involves virtual screening of 8548 FDA approved drugs against target protein endoribonuclease NendoU (Nsp15) (PDB ID: 6VWW). Result: Virtual screening-based analysis enabled us to identify four drugs, Eprosartan, Inarigivir soproxil, Foretinib, and DB01813 that could plausibly target Nsp15 against COVID-19 disease. Conclusion: The work offers the scope to corroborate the findings via in vitro and in vivo techniques to identify the potential of selected leads against COVID-19. The outcome may also help in tracing their molecular mechanism(s) in addition to their development at the clinical level in the future. � 2021 Bentham Science Publishers. | en_US |
| dc.identifier.doi | 10.2174/1570180817999201211191445 | |
| dc.identifier.issn | 15701808 | |
| dc.identifier.uri | https://kr.cup.edu.in/handle/32116/3503 | |
| dc.identifier.url | https://www.eurekaselect.com/189068/article | |
| dc.language.iso | en_US | en_US |
| dc.publisher | Bentham Science Publishers | en_US |
| dc.subject | Antiviral agents | en_US |
| dc.subject | COVID-19 | en_US |
| dc.subject | Drug repurposing | en_US |
| dc.subject | Molecular modelling | en_US |
| dc.subject | Nsp15 | en_US |
| dc.subject | SARS-CoV-2 | en_US |
| dc.subject | Virtual screening | en_US |
| dc.title | Selection of active antiviral compounds against COVID-19 disease targeting coronavirus endoribonuclease nendou/NSP15 via ligand-based virtual screening and molecular docking | en_US |
| dc.title.journal | Letters in Drug Design and Discovery | en_US |
| dc.type | Article | en_US |
| dc.type.accesstype | Open Access | en_US |