ABSTRACT

Background: A novel series of N-Mannich bases of benzimidazole analogues were designed and synthesized with an effort to overcome the increasing antibiotic resistance. DNA gyrase is an essential bacterial enzyme that catalyzes the ATP-dependent negative super-coiling of double-stranded closed-circular DNA. Benzimidazole is having the ability to inhibit the bacterial DNA gyrase. In this study, we target DNA gyrase enzyme on Escherichia coli. Method: In this work we aimed to design, synthesis and evaluate the N-Mannich bases of benzimidazole. The ligand molecules were subjected to molecular docking studies with enzyme DNA gyrase. Computational Autodock 4.2 tools will be employed in this study for docking of benzimidazole ligand molecules against DNAgyrase (PDB code: 1KZN). Molinspiration server was used for lead optimization. Results and Conclusion: The molecular docking studies are supported to compare in-vitro antibacterial activity by the use of binding energy of the docked ligand molecules. The newly synthesized compounds were characterized by UV and various physico-chemical methods. Further, the antibacterial activity of benzimidazole compounds were assessed with zone of inhibition by agar well diffusion method using gram negative bacterial strain Escherichia coli. Keywords: DNAgyrase, Benzimidazole, Molecular docking, N-Mannich base, Escherichia coli
Publication date: 01/10/2021

https://ijbpas.com/pdf/2021/October/MS_IJBPAS_2021_5660.pdf

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https://doi.org/10.31032/IJBPAS/2021/10.10.5660