Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches
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 amo...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Elsevier B.V.
2023
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| Online Access: | http://umpir.ump.edu.my/id/eprint/41783/ http://umpir.ump.edu.my/id/eprint/41783/1/Mefenamic%20acid%20inhibit%20transforming%20growth%20factor-beta%20type-1%20-%20Repurposing%20anti-inflammatory%20drugs%20in%20wound%20healing%20using%20in-silico%20approaches.pdf |
| _version_ | 1848826431045369856 |
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| author | Roney, Miah Issahaku, Abdul Rashid Normaiza, Zamri Mohd Fadhlizil Fasihi, Mohd Aluwi |
| author_facet | Roney, Miah Issahaku, Abdul Rashid Normaiza, Zamri Mohd Fadhlizil Fasihi, Mohd Aluwi |
| author_sort | Roney, Miah |
| building | UMP Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-15T03:44:42Z |
| format | Article |
| id | ump-41783 |
| institution | Universiti Malaysia Pahang |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T03:44:42Z |
| publishDate | 2023 |
| publisher | Elsevier B.V. |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | ump-417832024-07-03T03:04:18Z http://umpir.ump.edu.my/id/eprint/41783/ Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches Roney, Miah Issahaku, Abdul Rashid Normaiza, Zamri Mohd Fadhlizil Fasihi, Mohd Aluwi HD Industries. Land use. Labor R Medicine (General) 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. Elsevier B.V. 2023-12 Article PeerReviewed pdf en cc_by_nc_nd_4 http://umpir.ump.edu.my/id/eprint/41783/1/Mefenamic%20acid%20inhibit%20transforming%20growth%20factor-beta%20type-1%20-%20Repurposing%20anti-inflammatory%20drugs%20in%20wound%20healing%20using%20in-silico%20approaches.pdf 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) https://doi.org/10.1016/j.amolm.2023.100031 10.1016/j.amolm.2023.100031 |
| spellingShingle | HD Industries. Land use. Labor R Medicine (General) Roney, Miah Issahaku, Abdul Rashid Normaiza, Zamri Mohd Fadhlizil Fasihi, Mohd Aluwi Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches |
| title | Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches |
| title_full | Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches |
| title_fullStr | Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches |
| title_full_unstemmed | Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches |
| title_short | Mefenamic acid inhibit transforming growth factor-beta type-1: Repurposing anti-inflammatory drugs in wound healing using in-silico approaches |
| title_sort | mefenamic acid inhibit transforming growth factor-beta type-1: repurposing anti-inflammatory drugs in wound healing using in-silico approaches |
| topic | HD Industries. Land use. Labor R Medicine (General) |
| url | http://umpir.ump.edu.my/id/eprint/41783/ http://umpir.ump.edu.my/id/eprint/41783/ http://umpir.ump.edu.my/id/eprint/41783/ http://umpir.ump.edu.my/id/eprint/41783/1/Mefenamic%20acid%20inhibit%20transforming%20growth%20factor-beta%20type-1%20-%20Repurposing%20anti-inflammatory%20drugs%20in%20wound%20healing%20using%20in-silico%20approaches.pdf |