Molecular Docking Analysis to Evaluate the Wound Healing Potential of Tamarindus Indica Extract
Year: 2024
Type: article
Abstract: In recent years, researchers have focused increasingly on the potential of several natural extracts to speed wound healing. The proteins involved in the wound healing process are the focus of this research, which uses a tamarindus indica bark. The purpose of this research is to examine determine the qualitative phytochemical screening and the potential inhibitory impact of phytochemicals in the extract on a panel of wound-healing proteins. Docking analysis with co-crystallized complexes of matrix metalloproteinase 2 (1GKC), transforming growth factor- (1PY5), fibroblast growth factor (1BFB), vascular endothelial growth factor receptor (3HNG), and IL-6 protein (4CNI) suggests that the fresh extract may have wound-healing properties. The GC-MS technique was used to determine the identity of the extract's active components. The molecular docking method was used to examine the active components based on their ability to interface with the target protein. This docking research demonstrates the binding affinity of Tamarindus indica bark extract to five distinct types of proteins. Interaction between ligands with MMP-9, the Best docking energy was found for (-7 Kcal/mol) 1h-pyrrole, Interaction between ligands with TGF-β (1PY5), the Best docking energy was found for (-8.3 Kcal/mol) 1,6-cyclodecadiene, Interaction between ligands with FGF-2 (1BFB) the best docking energy was found for (-4.4 Kcal/mol) 1-hexyl-2-nitrocyclohexane, Interaction between ligands with VGEF (3HNG) The best docking energy was found for (-7.8 Kcal/mol)(z,z)-.alpha.-farnesene. and Interaction between ligands with IL-6(4CNI) the best docking energy was found for(-5.4 Kcal/mol) Tetracyclo[6.1.0.0(2,4).0(5,7)].
Author: S.A. Vadivel
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4402604862