New azoles with potent antifungal activity: Design, synthesis and molecular docking
In response to the urgent need for novel antifungal agents with improved activity and broader spectrum, computer modeling was used to rational design novel antifungal azoles. On the basis of the active site of lanosterol 14α-demethylase from Candida albicans (CACYP51), a series of new azoles with substituted-phenoxypropyl piperazine side chains were rational designed and synthesized. In vitro antifungal activity assay indicates that the new azoles show good activity against most of the tested pathogenic fungi. Interestingly, the designed compounds are also active against an azole-resistant clinical strain. Compared to fluconazole and itraconazole, several compounds (such as 12i, 12j and 12n) show higher antifungal activity and broader spectrum, which are promising leads for the development of novel antifungal agents.
Xiaoying Che Wannian Zhang Chunquan Sheng Wenya Wang Yongbing Cao Yulan Xu Haitao Ji Guoqiang Dong Zhenyuan Miao Jianzhong Yao
School of Pharmacy, Second Military Medical University, 325 Guohe Road, Shanghai 200433, Peoples Re Department of Chemistry, Department of Biochemistry, Molecular Biology and Cell Biology and Center f
国际会议
武汉
英文
35-43
2010-09-01（万方平台首次上网日期，不代表论文的发表时间）