School of Traditional Chinese Materia Medica, Key Laboratory of Structure-Based Drug Design and Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, People's Republic of China.
School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, People's Republic of China.
Nat Prod Res. 2020 Feb;34(4):456-463. doi: 10.1080/14786419.2018.1488705. Epub 2018 Nov 16.
The phytochemical investigation on the twigs and leaves of (Jack) I.C.N. led to the isolation of three pairs of furolactone-type lignans enantiomers, including a pair of new compounds (1,5,6)-Kachiranol () and (1,5,6)-Kachiranol () and four known compounds (/ and /). Separation of the furolactone-type lignans enantiomeric mixtures was achieved using chiral HPLC for the first time. Their structures were determined by spectroscopic analysis and comparison between the experimental and calculated electronic circular dichroism (ECD) spectra. All optical pure compounds were evaluated for their inhibitory effects on -amyloid aggregation by ThT assay. Among them, the inhibitory activity of the compound (71.1%) was higher than the positive control (61.0%) and other compounds. In addition, molecular dynamics and molecular docking were employed to explore the binding relationship between the ligand and the receptor.
（Jack）I.C.N. 的嫩枝和叶片的植物化学研究导致分离出三对对映体呋喃内酯型木脂素，包括一对新化合物（1,5,6）-Kachiranol（）和（1,5,6）-Kachiranol（）以及四个已知化合物（/和/）。首次使用手性 HPLC 分离呋喃内酯型木脂素对映体混合物。通过光谱分析和实验与计算电子圆二色性（ECD）光谱之间的比较确定了它们的结构。所有光学纯化合物均通过 ThT 测定法评估其对 -淀粉样蛋白聚集的抑制作用。其中，化合物（71.1%）的抑制活性高于阳性对照（61.0%）和其他化合物。此外，还采用分子动力学和分子对接来探索配体与受体之间的结合关系。
