Synthesis, Antifungal Activity, and Molecular Docking Studies of Novel Triazole Derivatives

Author(s): Nan Wang, Xiaoyun Chai, Ying Chen, Lei Zhang, Wenjuan Li, Yijun Gao, Yi Bi, Shichong Yu, Qingguo Meng.

Journal Name: Medicinal Chemistry

Volume 9 , Issue 3 , 2013

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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.

Keywords: Triazole, Carbonate, Synthesis, Antifungal activity, Molecular docking, H-bonding, hydroxyl group, spectroscopic analysis, benzoyl peroxide

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Article Details

Year: 2013
Page: [384 - 388]
Pages: 5
DOI: 10.2174/1573406411309030009
Price: $58

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