An article Glycosyl triazoles as novel insect beta-N-acetylhexosaminidase OfHex1 inhibitors: Design, synthesis, molecular docking and MD simulations WOS:000468879400006 published article about ACETYL-D-HEXOSAMINIDASE; NAG-THIAZOLINE; DERIVATIVES; DYNAMICS; INSIGHTS in [Dong, Lili; Shen, Shengqiang; Lu, Huizhe; Xu, Dongdong; Jin, Shuhui; Zhang, Jianjun] China Agr Univ, Coll Sci, Dept Appl Chem, Beijing, Peoples R China; [Chen, Wei; Yang, Qing] Dalian Univ Technol, Sch Life Sci & Biotechnol, Dalian, Peoples R China; [Yang, Qing] Chinese Acad Agr Sci, Inst Plant Protect, Beijing 100193, Peoples R China in 2019.0, Cited 36.0. SDS of cas: 50-30-6. The Name is 2,6-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-30-6
The insect enzyme GH20 beta-N-acetyl-D-hexosaminidase OfHex1 represents an important chitinolytic enzyme found in the agricultural pest Ostrinia furnacalis (Guenee) and inhibition of this enzyme has been considered a promising strategy for the development of eco-friendly pesticides. In this article, based on the structure of the catalytic domains of OfHex1, a series of novel glycosyl triazoles were designed and synthesized via Cu-catalyzed azide-alkyne [3+ 2] cycloaddition reaction. To investigate the potency and selectivity of these glycosyl triazoles, the inhibition activities towards OfHex1 and HsHexB (human beta-N-acetylhexosaminidase B) were studied. Particularly compound 17c (OfHex1, K-i= 28.68 mu M; HsHexB, K-i > 100 mu M) exhibited a suitable activity and selectivity against OfHex1. Furthermore, the possible inhibitory mechanisms of 17c with OfHex1 were studied using molecular docking and MD simulations. The structure-activity relationship results as well as the formed binding patterns may provide promising insights into the further development of novel OfHex1 inhibitors.
Welcome to talk about 50-30-6, If you have any questions, you can contact Dong, LL; Shen, SQ; Chen, W; Lu, HZ; Xu, DD; Jin, SH; Yang, Q; Zhang, JJ or send Email.. SDS of cas: 50-30-6
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