期刊
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
卷 46, 期 7, 页码 3167-3176出版社
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2011.04.022
关键词
Triazole; Antifungal agents; Synthesis; Molecular docking
资金
- National Natural Science Foundation of China [30300437]
- Eleventh Five Year Military Medicine and Public Health Research Projects [06MB206]
- Shanghai Leading Academic Discipline Project [B906]
In order to meet the urgent need for novel antifungal agents with improved activity and broader spectrum, a series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[(4-substituted trifluoromethyl phenyl)-piperazin-1-yl]-propan-2-ols were designed, synthesized and evaluated as antifungal agents. The MIC80 values indicate that the compounds 7a-7q, 8a-8d showed higher antifungal activities against Candida albicans than 5a-5i, 6a-6j. Moreover, the molecular model for the binding between compound 5a, 7a and the active site of CACYP51 was provided based on the computational docking results, and the structure activity relationship was analyzed. (C) 2011 Elsevier Masson SAS. All rights reserved.
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