Synthesis, antimicrobial evaluation and docking studies of fluorinated imine linked 1,2,3-triazoles

Abstract

A diverse series of imine linked 1,2,3-triazole hybrids has been synthesized via Cu(I)-promoted click reaction, with an aim to develop some new antimicrobial molecules. The structural characterization of the synthesized triazole hybrids was accomplished using various spectral techniques like 1H NMR, 13C NMR, FTIR and HRMS. Among the synthesized hybrids, 7d exhibited highest antimicrobial efficacy against R. oryzae and S. aureus with MIC of 0.0123 µmol/mL and 0.0061 µmol/mL, respectively. Docking studies of the terminal alkynes (4a, 4b) and triazole hybrids (6a, 6d, 7c, 7g) showing high potency towards E. coli DNA gyrase and C. albicans sterol 14-α demethylase were also undertaken to understand the binding behaviour. Graphical abstract: [Figure not available: see fulltext.].