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

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.