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Vol. 38 No. 3 (2026): Vol 38 Issue 3, 2026

Copyright (c) 2026 VIJAYAVILAS SATHYAN SANGEETHA

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Isolation and Structural Characterization of (-)-Epicatechin from Cassia fistula L. Seeds: In Silico Docking and ADMET Profiling for the Evaluation of Antiepileptic Potential Targeting GABAA Receptor

https://doi.org/10.14233/ajchem.2026.35190
Vijayavilas Sathyan Sangeetha
Department of Chemistry, Dhanalakshmi Srinivasan College of Arts and Science for Women (Autonomous) (Affiliated to Bharathidasan University, Tiruchirapalli), Perambular-621212, India
https://orcid.org/0000-0001-5413-3376
P. Christina Ruby Stella
Department of Science and Humanities, Sri Vignesh College of Engineering and Technology, Tiruchirapalli-621216, India
https://orcid.org/0009-0001-4157-0400
V. Priya
Department of Chemistry, Holy Cross College (Affiliated to Bharathidasan University, Tiruchirapalli), Tiruchirapalli-620002, India
https://orcid.org/0000-0002-9710-4476
Nivetha Arunprakash
Department of Chemistry, Holy Cross College (Affiliated to Bharathidasan University, Tiruchirapalli), Tiruchirapalli-620002, India
https://orcid.org/0009-0005-7047-5823

Corresponding Author(s) : Vijayavilas Sathyan Sangeetha

sangeethavasanth23@gmail.com

Asian Journal of Chemistry, Vol. 38 No. 3 (2026): Vol 38 Issue 3, 2026

Abstract

The current experimental study is concerned with the isolation of epicatechin, a naturally occurring flavonoid, from the seed of Cassia fistula L and to investigate the biological potential by executing molecular docking studies against the GABAA receptor, a crucial target in neuropharmacology that moderates the signaling in the central nervous system (CNS). The physico-chemical, pharmacokinetic and pharmacodynamic properties of epicatechin were evaluated; validate its drug-like characteristics and support its potential as therapeutic agent against CNS related disorders. Molecular docking analysis revealed a favourable interaction between epicatechin and the GABAA receptor, suggesting its potential as a selective therapeutic candidate. The calculated binding affinity of epicatechin (-5.204 kcal/mol) was stronger than that of the reference ligand diazepam (-4.216 kcal/mol), indicating a comparatively more stable ligand–receptor complex. These findings imply that epicatechin may effectively modulate the GABAergic pathway through energetically favourable binding interactions within the receptor’s active site and exhibit significant antiepileptic efficacy. This experimental approach incorporates traditional isolation and purification methods with computational drug target techniques, which come up with new insights into the pharmaceutical potential of Cassia fistula L.

Keywords

Epicatechin γ-Aminobutyric acid Central neural system Chromatography Isolation Molecular docking
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Sangeetha, V. S.; Stella, P. C. R.; Priya, V.; Arunprakash, N. Isolation and Structural Characterization of (-)-Epicatechin from Cassia Fistula L. Seeds: In Silico Docking and ADMET Profiling for the Evaluation of Antiepileptic Potential Targeting GABAA Receptor. ajc 2026, 38, 619-628.
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