Novel conformationally restricted triazole derivatives with potent antifungal activity
In continuation of our work on azole antifungal agents,a series of new confurmationally restricted triazole derivatives possessing benzylpiperidin-4-yl methyl amino side chains were designed and synthesized.All the new azoles showed moderate to excellentin vitro antifungal activity against most of the tested pathogenic fungi.Several compounds (such as 12e,12f 12h and 12n) showed higher antifungal activity against Candida albicans than fluconazole.Moreover,compounds 12g-(i) also showed good activity against Aspergillus fumigatus with their MIC80 on the level of 1 μg/mL Flexible molecular docking was used to analyze the binding mode of the designed compounds.They interact with CACYP51 through hydrophobic and van der Waals interactions.
Rational design Conformationally restricted analogues Molecular docking Antifungal activity
Wenya Wang Shengzheng Wang Yang Liu Guoqiang Dong Yongbing Cao Zhenyuan Miao Jianzhong Yao Wannian Zhang Chunquan Sheng
Deportment of Medicinal Chemisty, School of Pharmacy.Second Military Medical University, 325 Guohe Road, Shanghai 200433, Peoples Republic of China
国际会议
南京
英文
385-391
2012-05-13（万方平台首次上网日期，不代表论文的发表时间）