Structure-based rational design, synthesis and antifungal activity of oxime-containing azole derivatives
Structure-based rational design, synthesis and antifungal activity of oxime-containing azole derivatives
复制标题
基于结构的含肟唑衍生物的合理设计、合成及其抗真菌活性
DOI：
10.1016/j.bmcl.2010.03.014
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发表时间：
2010-05-01
影响因子：
2.7
通讯作者：
Zhang, Wannian
中科院分区：
文献类型：
--
作者：
Xu, Yulan;Sheng, Chunquan;Zhang, Wannian
In an attempt to find novel azole antifungal agents with improved activity and broader spectrum, computer modeling was used to design a series of new azoles with piperidin-4-one O-substituted oxime side chains. Molecular docking studies revealed that they formed hydrophobic and hydrogen-bonding interactions with lanosterol 14 alpha-demethylase of Candida albicans (CACYP51). In vitro antifungal assay indicates that most of the synthesized compounds showed good activity against tested fungal pathogens. In comparison with fluconazole, itraconazole and voriconazole, several compounds (such as 10c, 10e, and 10i) show more potent antifungal activity and broader spectrum, suggesting that they are promising leads for the development of novel antifungal agents. (C) 2010 Published by Elsevier Ltd.
