In Silico Molecular Docking and In Vitro Antibacterial and Antifungal Study of Newly Synthesized Triazole Containing Heterocyclic Framework via Copper-Catalyzed Click Reaction

Abstract

Abstract A new heterocyclic framework of 2-(4-{[(2-oxo-2H-chromen-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-N-[4-(3-oxomorpholino)phenyl]acetamide was constructed using the copper-catalyzed click chemistry tool as a key reaction. The synthesized compounds were subjected to in vitro antimicrobial activity against gram-positive (S. aureus, S. pyogenes), gram-negative (E. coli, P. aeruginosa), and fungal strains (C. albicans, A. clavatus, and A. niger) concerning standard drugs. The screened compounds show moderate to good activity against various bacteria and fungi. The compounds were also studied for in silico molecular docking with the target protein of bacteria and fungi to investigate potential inhibition properties. The study suggests that compounds some have the potential and, after other detailed studies, may be useful for medicinal purposes.