Roney, Miah and Mohd Fadhlizil Fasihi, Mohd Aluwi (2025) Design and in-silico studies of abacavir analogues as Anti-DENV-2 NS5 methyltransferase. Letters in Applied NanoBioScience, 14 (2). pp. 1-10. ISSN 2284-6808. (Published)
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Abstract
Researchers have demonstrated substantial biological activity of the FDA-approved antiHIV drug "abacavir" against the cancer cell line and SARS-CoV-2. Using computational analysis, the most potent abacavir analogs were chosen in this investigation to find an anti-DENV inhibitor against the DENV-2 NS MTase. Twenty-four (24) compounds were collected through the SwissSimilarity program, and four of them were submitted to molecular docking research based on the similarity score (1.000 to 0.400). According to the studies, DB02947 has been identified as a lead molecule against DENV-2 NS5 MTase with a binding affinity of -7.4 kcal/mol and high druggability ratings. To find and discover a novel medicine to treat DENV, in vitro and in vivo experiments on DB02947 are advised to be conducted to ascertain its antiviral efficacy.
| Item Type: | Article |
|---|---|
| Additional Information: | Indexed by Scopus |
| Uncontrolled Keywords: | Abacavir; Anti-dengue; In-silico; Methyltransferase; Swiss similarity |
| Subjects: | Q Science > QH Natural history > QH301 Biology R Medicine > RC Internal medicine R Medicine > RM Therapeutics. Pharmacology |
| Faculty/Division: | Faculty of Industrial Sciences And Technology Centre for Bioaromatic Research (Bioaromatic Centre) |
| Depositing User: | Mrs. Nurul Hamira Abd Razak |
| Date Deposited: | 18 Jul 2025 01:51 |
| Last Modified: | 18 Jul 2025 01:51 |
| URI: | http://umpir.ump.edu.my/id/eprint/45105 |
| Download Statistic: | View Download Statistics |
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