Abstract
The in vitro antimicrobial properties of some chalcones (1a–1c ) and chalcone tethred 1,4-disubstituted 1,2,3-triazoles (2a–2u) towards different microbial strains viz. Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, Aspergillus niger and Candida albicans are reported. Compounds 2g and 2u exhibited better potency than the standard Fluconazole with MIC values of 0.0063
µmol/mL and 0.0068 µmol/mL, respectively. Furthermore, molecular docking was performed
to investigate the binding modes of two potent compounds 2q and 2g with E. coli topoisomerase II DNA gyrase B and C. albicans lanosterol 14α-demethylase, respectively. Based on these results, a statistically
significant quantitative structure activity relationship (QSAR) model was successfully
summarized for antibacterial activity against B. subtilis.
Key words
1,4-Disubstituted 1,2,3-triazoles - Chalcones - antimicrobial activity - docking simulation