新型三唑衍生物的合成、抗真菌活性及分子对接研究。

Synthesis, antifungal activity, and molecular docking studies of novel triazole derivatives.

机构信息

Department of Medicinal Chemistry, Yantai University, Yantai, People's Republic of China.

出版信息

Med Chem. 2013 May;9(3):384-8. doi: 10.2174/1573406411309030009.

Abstract

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.

摘要

为了满足对具有改善的活性和更广泛谱的新型抗真菌剂的迫切需求,设计、合成并评估了一系列 3/4-[[N-烷基-2-(2,4-二氟苯基)-2-羟基-3-(1H-1,2,4-三唑)]丙基氨基]苄基碳酸酯作为抗真菌剂。MIC80 值表明,所有化合物对几乎所有测试的真菌病原体均表现出仅中等或甚至没有抗真菌活性。此外,借助对接研究还探索了最活跃的化合物在 CACYP51 的药物结合部位的相互作用。

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