Synthesis, Characterization, Antimicrobial Evaluation and Docking Study of New Chalcone Derivatives Containing 1, 3, 5-Triazinane-1, 3, 5-triyl) Moiety

Souad Jabbar Lafta, Hayder Jaw

Abstract

This research depicted the synthesis of new chalcone derivatives containing 1,3,5-triazinane- 1,3,5-triyl) moiety. The first step included the cyclocondensation of 4-aminoacetophenone with aqueous formaldehyde in ethanol at room temperature to afford 1, 3, 5-triacetophenone-1, 3, 5-hexahydro-s-triazine as starting material. Treatment of triazine derivative with different substituted aromatic aldehydes afforded the novel chalcone derivtives. The synthesized compounds were characterized by FT-IR and 1H NMR spectroscopy. The antimicrobial activity against several bacterial species as well as against candida albicans was evaluated. Docking study of the synthesized compounds against glucosamine-6-phosphate synthase, the target enzyme for the antimicrobial agents was achieved to explore and explain the interactions of the discovered hits with in the binding pocket of the target enzyme. The docking results enhanced the activity of new derivatives as promising antimicrobial agents.