Synthesis, In Vitro Biological Evaluation, and Molecular Docking of New Triazoles as Potent Antifungal Agents

被引：5

作者：

Li, Xiang ^{[1
]}

Liu, Chao ^{[1
]}

Tang, Sheng ^{[1
]}

Wu, Qiuye ^{[1
]}

Hu, Honggang ^{[1
]}

Zhao, Qingjie ^{[1
]}

Zou, Yan ^{[1
]}

机构：

[1] Second Mil Med Univ, Coll Pharm, Dept Organ Chem, Guohe Rd 325, Shanghai 200433, Peoples R China

来源：

ARCHIV DER PHARMAZIE | 2016年 / 349卷 / 01期

关键词：

Antifungal activity; CYP51; Molecular docking; SAR; Triazoles; DERIVATIVES; DESIGN;

D O I：

10.1002/ardp.201500313

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Based on the structure of the active site of CYP51 and the structure-activity relationships of azole antifungal compounds that we designed in a previous study, a series of 1-{1-[ 2-(substitutedbenzyloxy)ethyl]-1H-1,2,3-triazol-4-yl}-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl) propan-2-ols (6a-n) were designed and synthesized utilizing copper-catalyzed azide-alkyne cycloaddition. Preliminary antifungal tests against eight human pathogenic fungi in vitro showed that all the title compounds exhibited excellent antifungal activities with a broad spectrum in vitro. Molecular docking results indicated that the interaction between the title compounds and CYP51 comprised pi-pi interactions, hydrophobic interactions, and the narrow hydrophobic cleft.

引用

页码：42 / 49

页数：8

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