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Letters in Drug Design & Discovery

Author(s): Tejaswini D. Patil* and Sunil V. Amrutkar

DOI: 10.2174/1570180818666211007110509

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Novel Benzotriazole Acetamide Derivatives as Benzo-Fused Five- Membered Nitrogen-Containing Heterocycles - In silico Screening, Molecular Docking, and Synthesis

Page: [337 - 349] Pages: 13

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Abstract

Background: DNA gyrase subunit B (1KZN) is an attractive target for antibacterial drug development because of its role in DNA replication. The fast development of antimicrobial medication resistance necessitates the quick discovery of new antimicrobial medicines.

Objective: The goal of this research was to design, synthesize, and discover benzo-fused five-membered nitrogen-containing heterocycles that bind to DNA gyrase subunit B via molecular docking (1KZN).

Methods: Based on literature research, 2-(1H-1,2,3-Benzotriazol-1-yl)-N-substituted acetamide was synthesized using an efficient method. All synthesized compounds were evaluated for antibacterial activity against three distinct organisms: E. coli, Pseudomonas aeruginosa, Staphylococcus aureus.

Results: In a docking investigation, the chemical interacts with the active site of DNA gyrase subunit B (1KZN), indicating that it might have antibacterial action.

Conclusion: According to the findings of this research, the compounds 3d and 3f showed antibacterial properties. For Staphylococcus aureus, 3c has the potential to be an antibacterial agent.

Keywords: Benzotriazole, molecular docking, antimicrobial, DNA gyrase, in silico, MDR.

Graphical Abstract

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