title: Design, synthesis, and antifungal activity of triazole and benzotriazole derivatives.
abstract: 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.
authors.affiliation: Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran. rezaeiza@sums.ac.ir
authors.forename: Zahra
authors.initials: Z
authors.lastname: Rezaei
authors.forename: Soghra
authors.initials: S
authors.lastname: Khabnadideh
authors.forename: Keyvan
authors.initials: K
authors.lastname: Pakshir
authors.forename: Zahra
authors.initials: Z
authors.lastname: Hossaini
authors.forename: Fatemeh
authors.initials: F
authors.lastname: Amiri
authors.forename: Elham
authors.initials: E
authors.lastname: Assadpour