In silico evaluation of antiviral activity of flavone derivatives and commercial drugs against SARS-CoV-2 main protease (3CLpro).
| Dublin Core | PKP Metadata Items | Metadata for this Document | |
| 1. | Title | Title of document | In silico evaluation of antiviral activity of flavone derivatives and commercial drugs against SARS-CoV-2 main protease (3CLpro). |
| 2. | Creator | Author's name, affiliation, country | M. Merzouki, A. Challioui, L. Bourassi, R. Abidi, B. Bouammli, L. El Farh; M. Merzouki, A. Challioui, L. Bourassi, R. Abidi, B. Bouammli, L. El Farh |
| 3. | Subject | Discipline(s) | |
| 3. | Subject | Keyword(s) | COVID-19; SARS-CoV-2; 3CLpro main protease; Flavones; Chloroquine; Lopinavir; Simeprevir; Molecular docking |
| 4. | Description | Abstract | In this paper the in silco evaluation of the antiviaral activity against the current spread of severe acute respiratory syndrome novel coronavirus 2 (SARS-CoV-2) of several anti-viral components such as Chloroquine, Simeprevir, Lopinavir and a series of five natural and synthesized flavone derivative was investigated. Results of the molecular docking revealed that among of the five flavones studied and Chloroquine, Simeprevir and Lopinavir, three compounds correlate with a high affinity for the same binding sites with the major protein 3-chymotrypsin-like protease (3CLpro) and a small negative binding energy compared with the control N3 molecule in protein 6LU7 and the control WK1 molecule in protein 2OP9. This may disrupt the 3CLpro main protease function and efficiency. |
| 5. | Publisher | Organizing agency, location | |
| 6. | Contributor | Sponsor(s) | |
| 7. | Date | (YYYY-MM-DD) | 18-01-2023 |
| 8. | Type | Status & genre | Peer-reviewed Article |
| 8. | Type | Type | |
| 9. | Format | File format | |
| 10. | Identifier | Uniform Resource Identifier | https://revues.imist.ma/index.php/morjchem/article/view/35278 |
| 10. | Identifier | Digital Object Identifier (DOI) | https://doi.org/10.48317/IMIST.PRSM/morjchem-v11i1.35278 |
| 11. | Source | Title; vol., no. (year) | Moroccan Journal of Chemistry; Vol 11, No 1 (2023) |
| 12. | Language | English=en | en |
| 13. | Relation | Supp. Files | |
| 14. | Coverage | Geo-spatial location, chronological period, research sample (gender, age, etc.) | |
| 15. | Rights | Copyright and permissions |
Copyright (c) 2023 Moroccan Journal of Chemistry |