ARCHIVES
VOL. 7, ISSUE 2 (2025)
GC–MS characterization and in silico evaluation of bioactive constituents from Coccinia grandis leaves as natural therapeutics for ulcerative colitis
Authors
Dr. Sethuramani A, Gunamathi G, Sebatini Sinsi A, Vinothini M, Dr. P Venkata Rathina Kumar
Abstract
Ulcerative colitis (UC) is a chronic
inflammatory bowel disorder characterized by epithelial damage, oxidative
stress, and immune dysregulation. Despite the availability of conventional
therapies, their adverse effects and limited efficacy necessitate the
exploration of safer, plant-based alternatives. The present study investigates
the phytochemical profile of the ethanolic extract of Coccinia grandis
(EECG) leaves through Gas Chromatography–Mass Spectrometry (GC–MS) and
evaluates the molecular interactions of identified bioactive compounds with
ulcerative colitis–associated target proteins. GC–MS analysis revealed 35 major
constituents, predominantly fatty acids, terpenoids, phenolic derivatives, and
alkaloids. Among them, δTocopherol, α-Tocospiro A, Squalene, Phytol, and
Phenol, 2-(1,1-dimethylethyl) were found in notable quantities, each exhibiting
recognized anti-inflammatory, antioxidant, and cytoprotective properties.
Molecular docking studies were performed using AutoDock Vina and SwissDock to
predict the binding affinities of these compounds toward three key UC-related
targets—EGFR, SRC, and AKT1. δ-Tocopherol demonstrated the strongest binding
affinity (EGFR: –6.3 kcal/mol, SRC: –7.0 kcal/mol, AKT1: –9.1 kcal/mol),
followed by Squalene and α-Tocospiro A, indicating potent modulation of
inflammation-related pathways. The findings suggest that Coccinia grandis
harbors multiple bioactive constituents capable of synergistically targeting
molecular mechanisms involved in UC pathogenesis, supporting its potential as a
natural therapeutic agent in the management of inflammatory bowel diseases.
Download
Pages:95-102
How to cite this article:
Dr. Sethuramani A, Gunamathi G, Sebatini Sinsi A, Vinothini M, Dr. P Venkata Rathina Kumar "GC–MS characterization and in silico evaluation of bioactive constituents from <i>Coccinia grandis</i> leaves as natural therapeutics for ulcerative colitis". International Journal of Medical Science and Research, Vol 7, Issue 2, 2025, Pages 95-102
Download Author Certificate
Please enter the email address corresponding to this article submission to download your certificate.