New azoles with antifungal activity: Design, synthesis, and molecular docking

✍ Scribed by Xiaoyun Chai; Jun Zhang; Yongbing Cao; Yan Zou; Qiuye Wu; Dazhi Zhang; Yuanying Jiang; Qingyan Sun

• Book ID: 104005194
• Publisher: Elsevier Science
• Year: 2011
• Tongue: English
• Weight: 365 KB
• Volume: 21
• Category: Article
• ISSN: 0960-894X
• DOI: 10.1016/j.bmcl.2010.12.006

✦ Synopsis

In order to search for many target compounds with excellent activities, a series of 1-(1H-1,2,4-triazol-1yl)-2-(2,4-difluoro-phenyl)-3-[(4-substituted phenyl)-piperazin-1-yl]-propan-2-ols were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against eight human pathogenic fungi in vitro showed that all the title compounds exhibited excellent activities with broad spectrum. Moreover, a molecular model for the binding between 5a and the active site of CACYP51 was provided based on the computational docking results.