Research Article
Allium cepa Bulb Bioactive against Glycogen Synthase Kinase 3 β -protein: An in-silico Study on the Mechanism of Wound Healing Validation
Mohammad Tarique Ansari, Jitender K. Malik, Surendra Pratap Singh, Gyan Singh
Middle East Research Journal of Pharmaceutical Sciences; 1-10.
DOI: https://doi.org/10.36348/merjps.2025.v05i01.001
Background: Hemostasis, inflammation, proliferation, and remodelling are all stages in the multiphase process of wound healing. Poor blood flow to the wound bed and microbial infection are two additional variables that might hinder the wound healing process. Enhancing the patient's systemic and local health as well as creating the perfect environment for wound healing are essential components of successful wound care. Numerous products have been developed to influence the wound environment in order to produce a pathogen-free, safe, and moist environment for healing. In the wound healing cascade, newer materials are being used to supplement or replace older substrates. Method: In the current work, glycogen synthase kinase-3 β (GSK-3 β) protein inhibitors were sought after using a molecular docking approach. The binding was determined by the Auto Dock software utilising a grid-based docking method. Compounds' 2D structures were constructed using the Merck Molecular Force Field, converted to 3D, and then energetically reduced up to an arms gradient of 0.01. (MMFF). Results: The molecular docking result revealed that β- sitosterol & kaempferol showed encouraging docking score. The docking score found to be with binding energy -9.26 & -7.41 kcalmol-1 for β- sitosterol & kaempferol respectively. Conclusion: The investigation's results showed that the presence of β -sitosterol and kaempferol in the ethanolic bulbs extract resulted in considerable wound healing efficacy.