| Autor: |
Sumit Arora, Govind Lohiya, Keshav Moharir, Sapan Shah, Subhash Yende |
| Jazyk: |
angličtina |
| Rok vydání: |
2020 |
| Předmět: |
|
| Zdroj: |
Digital Chinese Medicine, Vol 3, Iss 4, Pp 239-248 (2020) |
| Druh dokumentu: |
article |
| ISSN: |
2589-3777 |
| DOI: |
10.1016/j.dcmed.2020.12.003 |
| Popis: |
Objective: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative agent for coronavirus disease 2019 (COVID-19), is responsible for the recent global pandemic. As there are no effective drugs or vaccines available for SARS-CoV-2, we investigated the potential of flavonoids against SARS-CoV-2 main protease 6YNQ. Methods: In silico molecular simulation study against SARS-CoV-2 main protease 6YNQ. Results: Among the 21 selected flavonoids, rutin demonstrated the highest binding energy (− 8.7 kcal/mol) and displayed perfect binding with the catalytic sites. Conclusions: Our study demonstrates the inhibitory potential of flavonoids against SARS-CoV-2 main protease 6YNQ. These computational simulation studies support the hypothesis that flavonoids might be helpful for the treatment of COVID-19. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
|
