• 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



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


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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