Evalution and Molecular Docking of Benzimidazole and its Derivatives as a Potent Antibacterial Agent

Kamatchi Chandrasekar¹*, Bhawani Kumar², Arunkumar Saravanan², Ayush Victor², Saranya Sivaraj², Magesh Haridoss², Priyadurairaj², Catna Nagaraj Hemalatha³ and Vijey Aanandhi Muthukumar³

¹Biotechnology Department, The Oxford College of Science (TOCS), Bangalore, Karnataka 560102, India

²Biotechnology Department, Dr.M.G.R Educational and Research Institute,Chennai Tamil Nadu-600095,India

³School of Pharmaceutical sciences Vels University (VISTAS)

Corresponding Author E-mail: ckamatchi@gmail.com

Abstract: The study was performed to identify a potent antibacterial benzimidazole derivative using in vitro and in silico techniques. Benzimidazole and its derivatives were synthesized by reflux process. The derivatives were screened for antibiotic susceptibility test (AST) and minimum inhibitory concentration (MIC) against Gram-negative and Gram-positive clinical isolates and compared with the positive control Norfloxacin. Insilico molecular docking was performed to screen the binding potential of the derivatives with target enzymes topoisomerase II /DNA gyraseof Escherichia coli (E.coli) and Staphylococcus aureus (S.aureus) along with the control Norfloxacin.Totally fifty-four isolates were screened for antimicrobial supectibility test (AST) and minimum inhibitory concentration (MIC) and 35 clinical isolates of Gram-negative showed 86% resistance to Norfloxacin and 19 isolates of Gram-positive showed 90% resistance to Norfloxacin.  However, these isolates were found to be sensitive to 1-(4-((1H–benzimidazol-1-yl) methylamino) phenyl) ethanone (3) (C2), and 2-methyl-1H-benzimidazole (C4) compounds, with MIC ranges from 6.25- 12.5 µg/ml. Molecular docking analysis revealed that the compound C2 exhibited better binding affinity towards topoisomerase II / DNA gyrase of E.coli and S.aureus when compared with C4 and control Norfloxacin. The antibacterial activity of these may due to the inactivation of these enzymes which is supported by the MIC results.The obtained in vitro and in silico results suggested that C2 showed better antimicrobial activity.

Keywords: Synthesis; Benzimidazole; 1-(4-((1H–benzimidazol-1-yl)methylamino)phenyl) ethanone (3); Antibacterial activity; Minimum inhibitory concentration; Molecular docking

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