Antimicrobial evaluation, QSAR and docking studies of amide-linked 1,4-disubstituted 1,2,3-bistriazoles

A series of amide-linked 1,4-disubstituted 1,2,3-bistriazoles was tested for antimicrobial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis, Gram-negative bacteria Escherichia coli and two fungal strains Aspergillus niger and Candida albicans. The antimicrobial evaluation data indicated that most of the compounds exhibited potential activity. To describe activity on the structural basis, QSAR studies were performed and statistically significant models were developed. Further, binding interactions of two active compounds 17 and 10 to active sites of E. coli topoisomerase II DNA gyrase B and C. albicans lanosterol 14 alpha-demethylase (1.14.13.70) (CYPLI) (cytochrome P450 51) enzymes, respectively, were also examined.