Synthesis, Antifungal Activity, and Molecular Docking Studies of Novel Triazole Derivatives
Synthesis, Antifungal Activity, and Molecular Docking Studies of Novel Triazole Derivatives
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DOI：
10.2174/1573406411309030009
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发表时间：
2013-05-01
影响因子：
2.3
通讯作者：
Meng, Qingguo
中科院分区：
文献类型：
--
作者：
Wang, Nan;Chai, Xiaoyun;Meng, Qingguo
为了满足人们对新型抗真菌药物的需求，设计、合成并评价了一系列3/4-[[N-烷基-2-（2，4-二氟苯基）-2-羟基-3-（1H-1，2，4-三唑）]丙胺基]苄基乙基碳酸酯类抗真菌药物。MIC 80值表明，所有化合物对几乎所有测试的真菌病原体仅显示出中等或甚至没有抗真菌活性。此外，在CACYP 51的药物结合位点的最具活性的化合物的相互作用也进行了探索的对接研究的帮助下。
In order to meet the urgent need for novel antifungal agents with improved activity and broader spectrum, a series of 3/4-[[N-alkyl-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1, 2, 4-triazole)] propylamino] benzylethyl carbonate were designed, synthesized and evaluated as antifungal agents. The MIC80 values indicate that all the compounds showed only moderate or even no antifungal activities against nearly all the tested fungal pathogens. Moreover, the interactions of the most active compounds in the drug binding site of CACYP51 were also explored with the help of docking studies.