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Discovery of dihydrobenzofuran neolignans from Rubus ideaus L. with enantioselective anti-Aβ1–42 aggregation activity
Bioorganic Chemistry ( IF 5.1 ) Pub Date : 2018-05-30 , DOI: 10.1016/j.bioorg.2018.05.016
Le Zhou , Jie Wang , Rui Guo , Bin Lin , Xiao-Bo Wang , Xiao-Xiao Huang , Shao-Jiang Song

Four new dihydrobenzofuran neolignans 1a/1b and 2a/2b were isolated from the fruit of Rubus ideaus. 1a/1b and 2a/2b as two pairs of enantiomers were separated on a chiral chromatographic column. Their structures were determined using a suite of techniques including 1D and 2D NMR, HRESIMS, together with theoretical electronic circular dichroism (ECD) calculation. All compounds were evaluated for their inhibition of self-induced Aβ1–42 aggregation. Compounds 1b and 2a exhibited optimal Aβ1–42 aggregation inhibition capability, with an inhibition potency of 81.6% and 83.4% at 20 μM, respectively. Additionally, molecular docking was performed to identify the possible factor responsible for the enantioselectivity in the anti-Aβ1–42 aggregation activity.



中文翻译:

从二氢苯并呋喃新木脂体的发现悬ideaus L.与对映选择性抗A β 1-42聚集活性

悬钩子的果实中分离出4个新的二氢苯并呋喃新木脂1a / 1b2a / 2b1a / 1b2a / 2b作为两对对映异构体在手性色谱柱上分离。使用一系列技术(包括1D和2D NMR,HRESIMS)以及理论电子圆二色性(ECD)计算,确定了它们的结构。所有化合物对抑制自诱导A的评价β 1-42聚集。化合物1B图2a展出最佳甲β 1-42聚集抑制能力,具有81.6%的抑制效力和83.4%,在20 μ男,分别。另外,进行分子对接确定负责在抗-A的对映可能的因子β 1-42聚集活性。

更新日期:2018-05-30
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