Cover Image

An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential

A complex web of dynamic systems is involved in the wound healing of excisional skin injuries, which poses a significant therapeutic challenge. Skin graft transplantation and wound dressings are among the several methods that have been suggested in order to preserve the essential structure and funct...

Full description

Saved in:
Bibliographic Details
Main Authors: Roney, Miah, Mohd Fadhlizil Fasihi, Mohd Aluwi, Normaiza, Zamri
Format: Article
Language:English
Published: Biointerface Research 2024
Subjects:
HD Industries. Land use. Labor
Q Science (General)
Online Access:http://umpir.ump.edu.my/id/eprint/42387/1/An%20in-silico%20approach%20to%20evaluate%20bioactive%20molecules%20of%20aloe%20vera%20leaf%20extracts%20in%20inhibiting%20the%20glycogen%20synthase%20kinase-3%CE%B2%20%28GSK3-%CE%B2%29%20protein%20for%20faster%20diabetic%20wound%20healing%20potential.pdf
http://umpir.ump.edu.my/id/eprint/42387/
https://biointerfaceresearch.com/wp-content/uploads/2024/07/BRIAC145.115.pdf
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.ump.umpir.42387
record_format eprints
spelling my.ump.umpir.423872024-08-18T07:23:26Z http://umpir.ump.edu.my/id/eprint/42387/ An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi Normaiza, Zamri HD Industries. Land use. Labor Q Science (General) A complex web of dynamic systems is involved in the wound healing of excisional skin injuries, which poses a significant therapeutic challenge. Skin graft transplantation and wound dressings are among the several methods that have been suggested in order to preserve the essential structure and function of the damaged tissue. GSK3-β, which is a main target to accelerate the healing process of wounds, is a signaling route that is part of the PI3K/AKT pathway, which is activated phosphatidylinositol 3 kinase/protein kinase B pathway. The efficient use of natural products in wound care has been the subject of extensive research in recent years. Natural products offer a multi-targeted strategy, particularly in treating chronic wounds, because they include many phytoconstituents that may work on different phases of wound healing. The effectiveness of the main compounds found in aloe vera leaf extracts as wound-healing agents against GSK3-β was evaluated in this work using in-silico techniques. Compared to the co-crystallized ligand (-6.2 kcal/mol), aloenin 2'-p-coumaroyl ester showed high docking scores (-9.5 kcal/mol) and robust binding to the GSK3-β protein. The docking properties of Aloenin 2'-p-coumaroyl ester and the outcomes of molecular QSAR might be further utilized to develop a GSK3-β inhibitor. Biointerface Research 2024 Article PeerReviewed pdf en cc_by_4 http://umpir.ump.edu.my/id/eprint/42387/1/An%20in-silico%20approach%20to%20evaluate%20bioactive%20molecules%20of%20aloe%20vera%20leaf%20extracts%20in%20inhibiting%20the%20glycogen%20synthase%20kinase-3%CE%B2%20%28GSK3-%CE%B2%29%20protein%20for%20faster%20diabetic%20wound%20healing%20potential.pdf Roney, Miah and Mohd Fadhlizil Fasihi, Mohd Aluwi and Normaiza, Zamri (2024) An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential. Biointerface Research In Applied Chemistry, 14 (5). pp. 1-12. ISSN 2069-5837. (Published) https://biointerfaceresearch.com/wp-content/uploads/2024/07/BRIAC145.115.pdf
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
Q Science (General)
spellingShingle HD Industries. Land use. Labor
Q Science (General)
Roney, Miah
Mohd Fadhlizil Fasihi, Mohd Aluwi
Normaiza, Zamri
An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential
description A complex web of dynamic systems is involved in the wound healing of excisional skin injuries, which poses a significant therapeutic challenge. Skin graft transplantation and wound dressings are among the several methods that have been suggested in order to preserve the essential structure and function of the damaged tissue. GSK3-β, which is a main target to accelerate the healing process of wounds, is a signaling route that is part of the PI3K/AKT pathway, which is activated phosphatidylinositol 3 kinase/protein kinase B pathway. The efficient use of natural products in wound care has been the subject of extensive research in recent years. Natural products offer a multi-targeted strategy, particularly in treating chronic wounds, because they include many phytoconstituents that may work on different phases of wound healing. The effectiveness of the main compounds found in aloe vera leaf extracts as wound-healing agents against GSK3-β was evaluated in this work using in-silico techniques. Compared to the co-crystallized ligand (-6.2 kcal/mol), aloenin 2'-p-coumaroyl ester showed high docking scores (-9.5 kcal/mol) and robust binding to the GSK3-β protein. The docking properties of Aloenin 2'-p-coumaroyl ester and the outcomes of molecular QSAR might be further utilized to develop a GSK3-β inhibitor.
format Article
author Roney, Miah
Mohd Fadhlizil Fasihi, Mohd Aluwi
Normaiza, Zamri
author_facet Roney, Miah
Mohd Fadhlizil Fasihi, Mohd Aluwi
Normaiza, Zamri
author_sort Roney, Miah
title An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential
title_short An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential
title_full An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential
title_fullStr An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential
title_full_unstemmed An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential
title_sort in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (gsk3-β) protein for faster diabetic wound healing potential
publisher Biointerface Research
publishDate 2024
url http://umpir.ump.edu.my/id/eprint/42387/1/An%20in-silico%20approach%20to%20evaluate%20bioactive%20molecules%20of%20aloe%20vera%20leaf%20extracts%20in%20inhibiting%20the%20glycogen%20synthase%20kinase-3%CE%B2%20%28GSK3-%CE%B2%29%20protein%20for%20faster%20diabetic%20wound%20healing%20potential.pdf
http://umpir.ump.edu.my/id/eprint/42387/
https://biointerfaceresearch.com/wp-content/uploads/2024/07/BRIAC145.115.pdf
_version_ 1822924616847327232
score 13.235362

Similar Items