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

[ Vol. 9 , Issue. 3 ]


Nan Wang, Xiaoyun Chai, Ying Chen, Lei Zhang, Wenjuan Li, Yijun Gao, Yi Bi, Shichong Yu and Qingguo Meng   Pages 384 - 388 ( 5 )


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.


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


Department of Medicinal Chemistry, School of Pharmacy, Yantai University, Yantai 264005, P. R. China and Department of Organic Chemistry, School of Pharmacy, Second Military Medical University, Shanghai 200433, P. R. China.

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