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Molecular Docking Study of 6-substituted 2-aminobenzothiazole derivatives as anticonvulsant agents | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

Molecular Docking Study of 6-substituted 2-aminobenzothiazole derivatives as anticonvulsant agents

Author(s): Love Kumar Soni and Bhagat Singh Chouhan

Molecular docking studies were carried out against γ-amino butyric acid (GABA) molecular target using Molegro Virtual Docker v 5.0 to accomplish preliminary confirmation of the observed in-vivo anticonvulsant activity. Docking studies have shown that the title compound interact and bind efficiently with 1OHY subunits of γ-amino butyric acid (GABA) enzyme which resulted in anticonvulsant activity. The quantitative assessment after docking procedure was made on the basis of Mol dock scores, re rank scores and hydrogen bond. Compound BSC-05 (6- methyl-[3-(3,4-dihydroxyphenyl)-prop-2-eneamido] benzothiazole) showed good binding interaction with mol dock score -84.236, re rank score -54.993 and hydrogen bond -8.414 which was close to the reference drug phenytoin.