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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...

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Main Authors: Roney, Miah, Issahaku, Abdul Rashid, Normaiza, Zamri, Mohd Fadhlizil Fasihi, Mohd Aluwi
Format: Article
Language:English
Published: Elsevier B.V. 2023
Subjects:
HD Industries. Land use. Labor
R Medicine (General)
Online Access: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
http://umpir.ump.edu.my/id/eprint/41783/
https://doi.org/10.1016/j.amolm.2023.100031
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spelling my.ump.umpir.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
institution Universiti Malaysia Pahang Al-Sultan Abdullah
building UMPSA Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Pahang Al-Sultan Abdullah
content_source UMPSA Institutional Repository
url_provider http://umpir.ump.edu.my/
language English
topic HD Industries. Land use. Labor
R Medicine (General)
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
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.
format Article
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
title 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_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_sort mefenamic acid inhibit transforming growth factor-beta type-1: repurposing anti-inflammatory drugs in wound healing using in-silico approaches
publisher Elsevier B.V.
publishDate 2023
url 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
http://umpir.ump.edu.my/id/eprint/41783/
https://doi.org/10.1016/j.amolm.2023.100031
_version_ 1822924448934658048
score 13.235362

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