Design and synthesis, biological evaluation of bis-(1, 2, 3- and 1, 2, 4)-triazole derivatives as potential antimicrobial and antifungal agents. (1st June 2021) - Bitla, Sampath
Graphical abstract: Highlights: A novel Bis-1, 2, 3 & 1, 2, 4-triazoles were synthesized as antimicrobial agents. Invitro and Insilico analysis of synthesized compounds shown synergic agreement. SAR study revealed the effect of halo, aromatic influence on antimicrobial agents. Abstract: A new series of bis-1, 2, 3- and 1, 2, 4-triazoles (10a-m) were designed and efficiently synthesized using methyl salicylate as potential antimicrobial agents. All compounds were characterized by their proton & 13 C NMR, IR, Mass spectral data, and elemental analysis. The final compounds 10a-m were in vitro screened for antimicrobial and antifungal activity against gram negative Pseudomonas aeruginosa, Escherichia coli, gram positive Bacillus subtilis, Staphylococcus aureus strains and Aspergillus niger & Saccharomyces cerevisiae. Majority of the synthesized compounds exhibited potent antimicrobial activity (MIC 3.9 µg/mL) and promising antifungal activity with the zone of inhibition (ZOI) 1.5–8.2 mm. Compounds like 10d and 10f exhibited best antimicrobial activity against S . aureus . The molecular docking analysis revealed that all the synthesized derivatives shown better binding affinities. Among all, compound 10f exhibited best scores. Hence, there was an assumption that introduction of para -chloro and bromo-phenyl aromatic groups on triazole moiety could result excellent antimicrobial activity. This substantial growth inhibitory activity of bis-1, 2, 3- and 1, 2, 4-triazole derivatives suggested these compounds could assist a new way in the development of lead molecules against microbial infection and antimicrobial resistance investigations.