title: Organocatalytic synthesis and sterol 14alpha-demethylase binding interactions of enantioriched 3-(1H-1,2,4-triazol-1-yl)butyl benzoates.
abstract: 1H-1,2,4-Triazole reacted with 2-butenal in the presence of diaryl prolinol silyl ether 3 and benzonic acid to give 3-(1H-1,2,4-triazol-1-yl)butanal 4, which was subsequently reduced and then treated with various acyl chloride to generate enantioriched 3-(1H-1,2,4-triazol-1-yl)butyl benzoates 6. Some of triazoles 6 exhibited strong binding interactions with the cytochrome P450-dependent sterol 14alpha-demethylase (CYP51). For example, compound (R)-6f showed the best binding activity with K(d) 0.3381 microM.
authors.affiliation: Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, Central China Normal University, Wuhan, PR China.
authors.forename: Zhi-Hui
authors.initials: ZH
authors.lastname: Ming
authors.forename: Sheng-Zhen
authors.initials: SZ
authors.lastname: Xu
authors.forename: Lei
authors.initials: L
authors.lastname: Zhou
authors.forename: Ming-Wu
authors.initials: MW
authors.lastname: Ding
authors.forename: Jiao-Yan
authors.initials: JY
authors.lastname: Yang
authors.forename: Shao
authors.initials: S
authors.lastname: Yang
authors.forename: Wen-Jing
authors.initials: WJ
authors.lastname: Xiao