Synthesis and Docking Study of Some Bioactive N-(benzo[d]thiazol-2-yl)- 2-(4-((substituted)phenoxy)acetamide on Cyclo-oxygenase-2 Enzyme and in-vivo Analgesic Activity Evaluation

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Author(s): Sumit Kumar, Arvind Kumar, Amit Verma, Arun Kumar Mishra*

Journal Name: Letters in Drug Design & Discovery

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Background: The benzothiazole and its derivatives reported an extremely key duty in the progress of commercially important intermediary molecules, which are wanted for the manufacture of various pharmacologically active agents.

Introduction: As a necessary element of ongoing examination for the synthesis of new Nonsteroidal anti-inflammatory agents (NSAIDs), a number of new benzothiazole derivatives were taken under thought for synthesis and were computationally studied along with biological activity.

Methods: Obtainable benzothiazole derivatives were synthesized by the condensing of 2-(4-aminophenoxy)-N- (benzo[d]thiazol-2-yl)acetamide with substituted acetophenones in ethanol in the presence of catalytic amount of glacial acetic acid. The structures of newly synthesized compounds were characterized by IR, NMR spectroscopy and elemental analysis techniques. Several molecular properties of these derivatives were computed in order to estimate their drug like candidates. Molecular docking was performed to these synthesized derivatives with particular reference to cyclooxygenase- 2 (COX-2) enzyme. The synthesized derivatives were screened for their biological activity, including analgesic and antiinflammatory activity as COX-2 inhibitors.

Results and Discussion: From all data, it established that among all target compounds, S-4 (N-(benzo[d]thiazol-2-yl)-2-(4- ((1-(3-nitrophenyl)ethylidene)amino) phenoxy)acetamide) displayed the highest anti-inflammatory and analgesic effects.

Conclusion: All these findings recommended that S-4 might be utilized as a promising new lead compound for Nonsteroidal anti-inflammatory drug (NSAIDs) development.

Keywords: Indole; Molecular docking; Analgesic activity; Anti-inflammatory activity; Benzothiazole; Biological Activity.

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(E-pub Ahead of Print)
DOI: 10.2174/1570180817999201022193901
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