QSAR analysis of a few GABA aminotransferase inhibitors as potent antiepileptics

Abstract

Quantitative structure activity relationship (QSAR) analysis of GABA analogs as GABA-AT inhibitors has been performed using various physicochemical parameters. Attempt has been made to explore the structural and/or physicochemical requirements of the compounds that are responsible for the inhibitory activity. Statistically significant equations are obtained which are cross-validated and subjected to ANOVA analysis to prove their efficacy. Significant models obtained show that Non 1,4 van der Waal’s energy, HOMO energy, LogP, Connolly Accessible Area and Total Energy of the molecules are the important parameters or properties that have to be considered while developing potent GABA-AT inhibitors as they are the deciding factors for its potent activity.