Design, synthesis, and antifungal activity of triazole and benzotriazole derivatives.

This study describes the design, synthesis and evaluation of a novel series of 1,2,4-triazole and benzotriazole derivatives as inhibitors of cytochrome P450 14alpha-demethylase (14DM). The chemical structures of the new compounds were confirmed by elemental and spectral ((1)H NMR, (13)C NMR, Mass) analyses. Compounds were designed by a generating virtual library of compounds and docking them into the enzyme active site. Furthermore, they were found to have in vitro activity against Microsporum canis, Trichophyton mentagrophyte, Trichophyton rubrum, Epidermophyton floccosum, and Candida albicans comparable to fluconazole and clotrimazole.