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Chiral beta-arylalkyl-1H-1,2,4-triazoles as demethylase inhibitors: Biological evaluation and its stereoselective interaction with sterol 14 alpha-demethylase from Penicillium digitatum

文献类型： 外文期刊

作者： Cao, Xiufang 1 ; Chen, Changshui 1 ; Lu, Wenchang 1 ; Ke, Shaoyong 2 ;

作者机构： 1.Huazhong Agr Univ, Coll Sci, Wuhan 430070, Peoples R China

2.Hubei Acad Agr Sci, Hubei Biopesticide Engn Res Ctr, Wuhan 430064, Peoples R China

关键词： demethylase: 9012-67-3;EC 1.5.3.2;14-alpha-demethylase: 60063-87-8;CYP51 protein;beta-laryla1kyl-1H-1;2;4-triazoles derivative;molecular docking;antifungal activity;binding activity;stereoselective interaction;R-enantiomer;S-enantiomer;chiral azole

期刊名称：PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY （ 影响因子：3.963； 五年影响因子：4.454 ）

ISSN：

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收录情况： SCI

摘要： A series of chiral beta-arylalkyl-1H-1,2,4-triazole derivatives were prepared and both their in vitro antifungal activities against Penicillium digitatum and binding activity toward CYP51 protein of P. digitatum (PdCYP51) were tested. In general, the in vitro inhibitory activities of R- and S-enantiomers were in good agreement with the corresponding binding activities in cultured cells. Furthermore, the preliminary molecular docking modeling of representative compounds are described to provide more insight into their stereoselective interaction, as well as further rationalize the observations of the activities of chiral azoles as demethylase inhibitors for defense against postharvest pathogens

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