Publication

Abstract : Convulsion generally occurs the diminishing concentration of GABA below a threshold level in the brain. This degradation pathway of GABA catalysed by the γ-aminobutyric acid amino transferase. The objective of the current study is to propose a binding interaction of 3a, 4-Dihydro-3-H-indeno [1, 2-C] pyrazole-2-Carboxamide/Carbothioamide anticonvulsant analogues towards a three-dimensional structural model of the γ-aminobutyric acid amino transferase. On the flexible type of molecular docking, we proposed that these molecules could successfully bind into the active pocket of the enzyme with good predicted affinities in comparison to standard vigabatrin. In this series 4b, 4c, 4i, 4f and 4a showed significant binding free energy of -9.64, -9.31, -9.01, -8.99 and -8.29 with predicted inhibitory constant values of 0.086, 0.149, 0.237, 0.257 and 0.831 µM respectively.