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New azoles with antifungal activity: Design, synthesis, and molecular docking |
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| Authors: | Chai Xiaoyun Zhang Jun Cao Yongbing Zou Yan Wu Qiuye Zhang Dazhi Jiang Yuanying Sun Qingyan |
| Institution: | a Department of Organic Chemistry, School of Pharmacy, Second Military Medical University, Guohe Road 325, Shanghai 200433, People’s Republic of China b Drug Research Center, School of Pharmacy, Second Military Medical University, Guohe Road 325, Shanghai 200433, People’s Republic of China c Overseas Education Faculty of the Second Military Medical University, Xiangyin Road 800, Shanghai 200433, People’s Republic of China |
| Abstract: | In order to search for many target compounds with excellent activities, a series of 1-(1H-1,2,4-triazol-1-yl)-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. |
| Keywords: | Azole Synthesis Antifungal activity CYP51 Molecular docking |
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