Designing of Hybrid form of Benzothiazole-quinazoline as GABA-A Inhibitor with Anticonvulsant Profile: An in-silico Approach

Ajeet^1, and Arvind Kumar¹

¹Department of Pharmaceutical Chemistry and Drug Design, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar, India

Cite this paper:
Ajeet and Arvind Kumar. Designing of Hybrid form of Benzothiazole-quinazoline as GABA-A Inhibitor with Anticonvulsant Profile: An in-silico Approach. American Journal of Pharmacological Sciences. 2013; 1(6):116-120. doi: 10.12691/ajps-1-6-2

Abstract

Epilepsy is a common but serious brain disorder. It is universal, with no age, sex, geographical, social class or racial boundaries. One of the most important mechanisms for handling it is the inhibition of the GABA-A receptor. In same context while studying the treatment of epilepsy we found the significant effects of the derivatives of the benzothiazole and quinazolines, this promotes us to develop a hybrid form of these two moieties by the means of in-silico resources with antiepileptic/anticonvulsant effects. Molecular docking approaches are routinely used in modern drug design to help understand drug–receptor interaction. This study has been performed with the help of Chemdraw Ultra 7.0, AutoDock Vina (Python Prescription 0.8), and PaDEL software. Results revealed that ligand-protein interaction affinity of all designed 10 hybrid molecules ranges from -6.8 Kcal/mol to -6.2 Kcal/mol which is approximately double as compared to pre-existing GABA-A inhibitor i.e. γ-aminobutyric acid (CID: 119, ligand-protein interaction affinity is -3.2 Kcal/mol).

Keywords:
Benzothiazole-quinazolines docking GABA-A inhibitors γ-aminobutyric acid protein-ligand interaction affinity

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