Synthesis, In Vitro and In Silico Evaluation of 3-(4, 5-Diphenyl-4H-1,2,4-triazol-3-yl)pyridine Derivatives As Potential Antimicrobial Agents

Objective: The objective of the present work was to synthesized, purify, characterize and evaluate the antibacterial, antifungal, and antitubercular activity of some substituted triazoles. Several variants of 3-(4,5diphenyl-4H-1,2,4-triazol-3-yl)pyridine (A1–A9) were synthesized. Methods: Observations were made in differentiation with the reference drug, Griseofulvin (200 µg/mL). The encouraging results from the antibacterial studies impelled us to go for preliminary screening of synthesized compounds against M. tuberculosis H37Rv were performed by LJ agar (MIC) method. Results and Discussion: All of the prepared analogues were tested for their antibacterial efficacy against the pathogenic germs S. aureus and E. coli (Gram-negative) using Norfloxacin (200 µg/mL) as standard. Conclusions: Compounds (A2) and (A4) derivatives showed better antibacterial activity as compared to other derivatives towards both Gram-negative and Gram-positive bacterial strain. Compounds (A1), (A3), and (A5) were also retained good antibacterial activity. All scaffolds have promising antibacterial activity because of electron donor groups such as hydroxy and phenyl. Similarly (A1), (A3), and (A7) have shown significant and better antimycotic activity against Aspergillus niger and Candida albicans. On the basis of preceding evaluation of the antitubercular activity revealed, following observations were made in comparison to the standard drug streptomycin, the derivatives (A1), (A3), and (A6) have shown promising and better result as compared to the other derivatives. Derivative (A4) represented considerable binding with InhA, the enoyl acyl carrier protein reductase (PDB ID: 2X22) from Mycobacterium tuberculosis as denoted by stable molecular dynamics of 100 ns.