DESIGN, SYNTHESIS AND EVALUATION OF PYRAZOLE SUBSTITUTED BENZIMIDAZOLE AS AN ANTI-TUBERCULAR, ANTI-FUNGAL AND ANTI-MICROBIAL AGENT

VIJAY BABU A.; PRIYA D.; KATHIRAVAN M.K.

doi:10.22159/ijap.2022.v14ti.53

Authors

VIJAY BABU A. Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Chengalpattu 603203, Tamil Nadu, India
PRIYA D. Dr. APJ Abdul Kalam Research Lab, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Chengalpattu 603203, Tamil Nadu, India
KATHIRAVAN M.K. Dr. APJ Abdul Kalam Research Lab, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Chengalpattu 603203, Tamil Nadu, India

DOI:

https://doi.org/10.22159/ijap.2022.v14ti.53

Keywords:

Pyrazole, Docking, ADMET, Anti-tubercular, Anti-Fungal, Anti- microbial

Abstract

Objective: A series of pyrazole substituted benzimidazole derivatives were subjected to in silico studies to identify a new lead for anti-tubercular, antimicrobial and antifungal activity.

Methods: Docking studies was carried out against Mycobacterium tuberculosis InhA bound with ETH-NAD adduct-PDB ID: 2H9I and Crystal structure of S. aureus TyrRS in complex with SB-239629-PDB ID: 1JIJ.

Results: Based on the binding interactions, binding energies, and ADMET predictions, the most active compounds were produced, consisting of a para-halo phenyl substitution at the pyrazole nucleus that was connected to benzimidazole. The synthesized compounds were evaluated for tuberculostatic activity using microplate Almar blue assay method, and anti-microbial and anti-fungal activity by disc diffusion method.

Conclusion: Compound 5c with chloro substituted phenyl ring on the pyrazole showed moderate anti-tubercular, mild antifungal and anti-microbial activity. This compound may thus represent a novel, multi target molecule having a selective class of anti-tubercular, anti-fungal and anti-microbial activity.

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