Xi Yu-Fei, Bai Ming, Zhang Xin, Hou Zi-Lin, Lin Bin, Yao Guo-Dong, Lou Li-Li, Wang Xiao-Bo, Song Shao-Jiang, Huang Xiao-Xiao
Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China.
School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, China.
Phytochemistry. 2023 Apr;208:113609. doi: 10.1016/j.phytochem.2023.113609. Epub 2023 Feb 8.
Nine tetrahydrofuran lignans, including three undescribed spiro-lignans, were isolated from Isatis indigotica Fortune (Brassicaceae). Extensive spectroscopic analyses achieved the structure elucidation of these tetrahydrofuran lignans, and quantum chemical calculation combined with the MAE parameter. Notably, isatispironeols A-B have a unique spiro[dienone-tetrahydrofuran] molecular core. These spiro[dienone-tetrahydrofuran] lignans showed comparable neuroprotective effects as the positive control in the HO-induced SH-SY5Y cells model. In addition, (-)-(7R,8S,1'R,7'R,8'R)-isatispironeol A possessed more significant AChE inhibitory activity, further interact sites were also predicted by the in silico assay.
从菘蓝（十字花科）中分离出9种四氢呋喃木脂素，包括3种未描述的螺木脂素。通过广泛的光谱分析确定了这些四氢呋喃木脂素的结构，并结合MAE参数进行了量子化学计算。值得注意的是，靛蓝螺酮醇A - B具有独特的螺[二烯酮 - 四氢呋喃]分子核心。在HO诱导的SH - SY5Y细胞模型中，这些螺[二烯酮 - 四氢呋喃]木脂素显示出与阳性对照相当的神经保护作用。此外，(-)-(7R,8S,1'R,7'R,8'R)-靛蓝螺酮醇A具有更显著的乙酰胆碱酯酶抑制活性，计算机模拟分析还预测了其进一步的相互作用位点。
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