title: Design, synthesis, and evaluation of 1-(N-benzylamino)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-2-ols as antifungal agents.
abstract: A series of 1-(N-benzylamino)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-2-ols 6a-c, 7a-c, 8a, and 9a were prepared in five steps and evaluated for their antifungal activity. The most active compound 7b was docked into a home-made 3D model of the targeted enzyme confirming the importance of Tyr118, His377, and Ser378 residues in its binding mode.
authors.affiliation: Université de Nantes, Nantes Atlantique Universités, Département de Pharmacochimie, Biomolécules et Cibles Thérapeutiques, BioCiT-EA 1155, UFR de Sciences Pharmaceutiques, 1 rue Gaston Veil, Nantes, F-44035 Cedex 1, France.
authors.forename: Francis
authors.initials: F
authors.lastname: Giraud
authors.forename: Cédric
authors.initials: C
authors.lastname: Logé
authors.forename: Fabrice
authors.initials: F
authors.lastname: Pagniez
authors.forename: Damien
authors.initials: D
authors.lastname: Crepin
authors.forename: Patrice
authors.initials: P
authors.lastname: Le Pape
authors.forename: Marc
authors.initials: M
authors.lastname: Le Borgne
mesh_terms: D000935:Antifungal Agents / Q000138:chemical synthesis* / Q000494:pharmacology*; D001232:Aspergillus fumigatus / Q000187:drug effects*; D002176:Candida albicans / Q000187:drug effects*; D015195:Drug Design; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D020005:Propanols / Q000138:chemical synthesis* / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D000935:Antifungal Agents; D020005:Propanols