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.

A number of novel triazole derivatives have been designed, synthesized by the click reaction and studied with molecular docking.Figure optionsDownload as PowerPoint slide