Roney, Miah and Issahaku, Abdul Rashid and Normaiza, Zamri and Mohd Fadhlizil Fasihi, Mohd Aluwi (2023) Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches. Aspects of Molecular Medicine, 2 (100031). pp. 1-8. ISSN 2949-6888. (Published)
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Mefenamic acid inhibit transforming growth factor-beta type-1 - Repurposing anti-inflammatory drugs in wound healing using in-silico approaches.pdf Available under License Creative Commons Attribution Non-commercial No Derivatives. Download (4MB) | Preview |
Abstract
Due to low cost and time-saving benefits, drug repurposing is a safe and successful method to discover drug. A druggable target for inflammation, transforming growth factor-beta type-1 (TGF-β 1) has been identified to be associated with wound healing. Finding the most effective TGF-β 1 inhibitor among FDA-approved anti-inflammatory medications was the goal of the current investigation. To find the best hits against TGF-β 1, we used structure-based virtual screening on medications that have received FDA approval. We discovered two FDA-approved medications with notable selectivity and affinity for the binding pocket of TGF-β 1. Mefenamic acid, one of these found hits, interacts with key TGF-β 1 residues and favourably attaches to the binding pocket, requiring further study. The kinetics of the binding between mefenamic acid and TGF-β 1 were revealed by all-atom precise molecular dynamics (MD) simulations. Mefenamic acid, which may also be used as a possible lead chemical against TGF-β 1, may be a promising TGF-β 1 inhibitor.
| Item Type: | Article |
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| Uncontrolled Keywords: | Mefenamic acid; In-silico; Wound healing; Docking; MD simulation |
| Subjects: | H Social Sciences > HD Industries. Land use. Labor R Medicine > R Medicine (General) |
| Faculty/Division: | Faculty of Industrial Sciences And Technology Institute of Postgraduate Studies Centre for Bioaromatic Research (Bioaromatic Centre) |
| Depositing User: | Miss Amelia Binti Hasan |
| Date Deposited: | 03 Jul 2024 03:04 |
| Last Modified: | 03 Jul 2024 03:04 |
| URI: | http://umpir.ump.edu.my/id/eprint/41783 |
| Download Statistic: | View Download Statistics |
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