title: New triazole derivatives as antifungal agents: synthesis via click reaction, in vitro evaluation and molecular docking studies.
abstract: 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.
authors.affiliation: Department of Organic Chemistry, College of Pharmacy, Second Military Medical University, Shanghai, People's Republic of China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Zou
authors.forename: Qingjie
authors.initials: Q
authors.lastname: Zhao
authors.forename: Jun
authors.initials: J
authors.lastname: Liao
authors.forename: Honggang
authors.initials: H
authors.lastname: Hu
authors.forename: Shichong
authors.initials: S
authors.lastname: Yu
authors.forename: Xiaoyun
authors.initials: X
authors.lastname: Chai
authors.forename: Mingjuan
authors.initials: M
authors.lastname: Xu
authors.forename: Qiuye
authors.initials: Q
authors.lastname: Wu
mesh_terms: D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D002384:Catalysis; D020134:Catalytic Domain; D057930:Click Chemistry; D003198:Computer Simulation; D003300:Copper / Q000737:chemistry; D005658:Fungi / Q000187:drug effects*; D006801:Humans; D008826:Microbial Sensitivity Tests; D014230:Triazoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000935:Antifungal Agents; D014230:Triazoles; D003300:Copper