New triazole derivatives as antifungal agents: Synthesis via click reaction, in vitro evaluation and molecular docking studies

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols (5a–5y) which are analogues of fluconazole, have been designed and synthesized via Cu(I)-catalyzed azide–alkyne cycloaddition on the basis of computational docking experiments to the active site of the cytochrome P450 14α-demethylase (CYP51). The in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi. Compound 5l showed the best antifungal activities.

Graphical abstractA number of novel triazole derivatives have been designed, synthesized by the click reaction and studied with molecular docking.Figure optionsDownload full-size imageDownload as PowerPoint slide