Design and Synthesis of Novel 1,2,3-Triazole-Based 2-Amino-4H- Chromene-3-Carbonitrile Derivatives: Molecular Docking and Antimicrobial Evaluation

Abstract

A series of novel 1,2,3-triazole-based 2-amino-4H-chromene-3-carbonitrile derivatives (7a–7o) were
synthesized through a combination of copper-catalysed azide–alkyne cycloaddition (CuAAC) and
multicomponent reaction strategies. The synthesized compounds were characterized by FT-IR, NMR,
and mass spectroscopic analyses, confirming their proposed structures. The antimicrobial potential of all
synthesized derivatives was evaluated against selected bacterial and fungal strains. Biological screening
revealed that several compounds exhibited significant antimicrobial activity, with some derivatives
showing comparable or superior potency relative to the standard drugs. These findings suggest that the
synthesized 1,2,3-triazole-linked 2-amino-4H-chromene-3-carbonitrile derivatives represent promising
candidates for the development of new antimicrobial agents. Among all the synthesized molecules,
compound 7i emerged as the most promising candidate, exhibiting a Glide score of -7.94 kcal/mol, Glide
Emodel of -74.88 kcal/mol.