化学
生物信息学
立体化学
羧酸盐
体外
IC50型
1,2,3-三唑
对接(动物)
三唑
生物化学
酶
有机化学
医学
护理部
基因
作者
Nhan Trung Nguyen,Phu Hoang Dang,Ngoc X. T. Vu,Tho Huu Le,Mai Thanh Thi Nguyen
标识
DOI:10.1021/acs.jnatprod.7b00289
摘要
From a CHCl3-soluble extract of the stems of Paramignya trimera, two new alkaloids, (E)-2-(prop-1-enyl)-N-methylquinolinium-4-olate (1) and (R)-2-ethylhexyl 2H-1,2,3-triazole-4-carboxylate (2), were isolated. Their structures were elucidated based on the spectroscopic data interpretation. Compound 2 possesses α-glucosidase inhibitory activity, with an IC50 value of 137.9 μM. Molecular docking studies of 1 and 2 with human maltase-glucoamylase (MGAM) were performed for the first time; thus, the 2,3-diH+-1H-1,2,3-triazolium cation (2i) showed good interactions with both MGAM-N (2QMJ) and -C (3TOP) terminal subunits.
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