Synthesis, Antimicrobial Evaluation, and In Silico Molecular Docking Studies of Chalcone-Based 1,2,3-Triazoles

A series of chalcone-based 1,2,3-triazole compounds was synthesized Condensation of aldehydes and ketones results in the formation of chalcones. Terminal alkyne of chalcones and different aryl azides cyclization produced chalcone-based 1,2,3-triazoles through 1,3-dipolar cycloaddition (click reaction). The compounds were screened to evaluate their in vitro antimicrobial activities against Bacillus cereus, Escherichia coli bacteria and Aspergillus niger fungal strains. The analogues of 2-methyl, 4-chloro, 3-trifluormethyl, ester and 3,5-dichloro substitutions showed excellent zone of inhibition compared to ampicillin and bavistin drugs. Molecular docking studies showed good binding interactions with selected proteins glucosamine-6-phosphate and 3-phytase A of E. coli and A. niger , respectively.