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Structure‐Based Design, Synthesis, and Antifungal Activity of New Triazole Derivatives
Author(s) -
Sheng Chunquan,
Che Xiaoying,
Wang Wenya,
Wang Shengzheng,
Cao Yongbing,
Yao Jianzhong,
Miao Zhenyuan,
Zhang Wannian
Publication year - 2011
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/j.1747-0285.2011.01138.x
Subject(s) - antifungal , triazole , chemistry , combinatorial chemistry , 1,2,4 triazole , stereochemistry , organic chemistry , biology , microbiology and biotechnology
A series of new antifungal triazole derivatives with phenylacetamide side chain were rational designed and synthesized on the basis of the structural information of lanosterol 14‐demethylase (CYP51). In vitro antifungal activity assay indicated that several compounds showed higher activity than fluconazole. Especially, compound 8h showed excellent inhibitory activity against Candida albicans and Cryptococcus neoformans (MIC = 0.0156 μg/mL), suggesting that it is a promising lead for the development of novel antifungal agents. The binding mode of compound 8h was investigated by flexible molecular docking. It interacted with CACYP51 through hydrophobic and van der Waals interactions.