Quinoliniumolate and 2H-1,2,3-Triazole Derivatives from the Stems of Paramignya trimera and Their α-Glucosidase Inhibitory Activities: In Vitro and in Silico Studies,Journal of Natural Products

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Quinoliniumolate and 2H-1,2,3-Triazole Derivatives from the Stems of Paramignya trimera and Their α-Glucosidase Inhibitory Activities: In Vitro and in Silico Studies
Journal of Natural Products ( IF 3.3 ) Pub Date : 2017-07-20 00:00:00 , DOI: 10.1021/acs.jnatprod.7b00289
Nhan T. Nguyen _{1,

2} , Phu H. Dang ₁ , Ngoc X. T. Vu ₁ , Tho H. Le ₁ , Mai T. T. Nguyen _{1,

2}

Affiliation

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.

中文翻译：

帕拉米尼亚ya茎中的喹啉鎓酸酯和2 H -1,2,3-三唑衍生物及其对α-葡萄糖苷酶的抑制活性：体外和计算机模拟研究

从虎尾草的茎的CHCl ₃可溶性提取物中提取了两个新生物碱（E）-2-（丙-1-烯基）-N-甲基喹啉-4-油酸酯（1）和（R）-2-乙基己基分离出2 H -1,2,3-三唑-4-羧酸盐（2）。根据光谱数据解释阐明了它们的结构。化合物2具有α-葡萄糖苷酶抑制活性，IC ₅₀值为137.9μM。首次进行了1和2与人麦芽糖酶-葡糖淀粉酶（MGAM）的分子对接研究；因此，2,3-diH ⁺ -1H -1,2,3-三唑鎓阳离子（2i）与MGAM- N（2QMJ）和-C（3TOP）末端亚基均表现出良好的相互作用。

更新日期：2017-07-20

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