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Letters in Drug Design & Discovery

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ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

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Research Article

Synthesis, Computational Study, and Anticonvulsant Activity of Newly Synthesized 2-aminobenzothiazole Derivatives

Author(s): Arun Kumar Mishra*, Vachan Singh, Arvind Kumar and Harpreet Singh

Volume 19, Issue 12, 2022

Published on: 27 May, 2022

Page: [1096 - 1110] Pages: 15

DOI: 10.2174/1570180819666220405081808

Price: $65

Abstract

Background: Despite the fact that anticonvulsant drugs targeting multiple targets have been used in the health center, their effectiveness and tolerability in the treatment of seizures have not improved much. As a result, innovative anticonvulsant medicines are still needed urgently to overcome the significant toxicity of currently existing medications.

Objective: This study aimed to synthesize 2-aminobenzothiazole derivatives as anticonvulsant agents, compute physicochemical parameters, and conduct a docking investigation.

Methods: Condensing 4-(2-(benzo[d]thiazole-2-ylamino) acetamido) benzoyl chloride with substituted phenols in acetone in anhydrous potassium carbonate in the presence of potassium iodide in dry acetone yielded benzothiazole derivatives. IR and NMR spectroscopy were used to characterize the structures of freshly synthesized substances. To estimate their drug-like candidates, a number of molecular attributes of these derivatives were computed. The carbonic anhydrase enzyme was used to perform molecular docking on these synthesized compounds. The synthetic compounds were tested for biological activity, such as anticonvulsant activity and enzyme inhibitor activity for carbonic anhydrase..

Results: The findings showed that V-5 (4-chlorophenyl 4-(2-(benzo[d]thiazol-2-ylamino)acetamido)benzoate) had the strongest anticonvulsant effect out of all the eight target compounds.

Conclusion: The outcome of this research was that V-5 could be a promising new lead molecule for the development of anticonvulsant drugs.

Keywords: Benzothiazole, molecular properties, molecular docking, anticonvulsant activity, carbonic anhydrase enzyme, carbonic anhydrase.

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