高速逆流色谱法分离芸苔素中的活性成分并亲和超滤筛选其乙酰胆碱酯酶抑制剂活性

IF 2.8 3区 工程技术 Q2 CHEMISTRY, ANALYTICAL Journal of separation science Pub Date : 2024-10-28 DOI:10.1002/jssc.70002
Jiaqi Liang, Yuchi Zhang, Chunming Liu, Sainan Li, Ruizhe Li, Yutong Zhang, Ming Chen, Ruijun Sun
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引用次数: 0

摘要

我们筛选、制备并评估了芸苔素乙酰胆碱酯酶抑制剂。为了筛选芦竹中的亲脂生物碱活性成分,我们改进并优化了超滤系统。筛选出了三种乙酰胆碱酯酶(AChE)抑制剂,即脱氢埃沃二胺、埃沃二胺和芦根碱。针对传统响应面方法(RSM)在多目标筛选中的局限性,我们将 RSM 与非优势排序遗传算法 III 相结合,实现了这些活性成分的最佳提取。采用高速逆流色谱法分离活性成分,使用两相溶剂系统:正己烷/乙酸乙酯/甲醇/水(3.0:2.5:3.5:2.0, v/v/v/v)和乙酸乙酯/甲醇/水(3.0:1.0:4.0, v/v/v)。核磁共振光谱证实了化合物的结构,分子对接和动力学模拟评估了化学成分对 AChE 的抑制作用,结果与超滤实验结果一致。我们还证实了这些化合物对谷氨酸诱导的 PC12 细胞凋亡具有神经保护作用。总之,我们实现了多靶点化合物提取、亲脂生物碱超滤筛选、制备和活性验证的系统优化,为开发亲脂生物碱 AChE 抑制剂奠定了基础。
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High-Speed Countercurrent Chromatography Isolation of Active Components from Evodia Rutaecarpa and Affinity Ultrafiltration Screening for Their Acetylcholinesterase Inhibitor Activity

Acetylcholinesterase inhibitors from Evodia rutaecarpa were screened, prepared, and evaluated. To screen the lipophilic alkaloid active constituents in E. rutaecarpa, we improved and optimized an ultrafiltration system. Three acetylcholinesterase (AChE) inhibitors, dehydroevodiamine, evodiamine, and rutecarpine, were screened. Addressing the limitations of the traditional response surface methodology (RSM) for multiobjective screening, we integrated RSM with the Non-dominated Sorting Genetic Algorithm III to achieve the optimal extraction of these active ingredients. High-speed countercurrent chromatography was used to isolate the active components using a two-phase solvent system: n-hexane/ethyl acetate/methanol/water (3.0:2.5:3.5:2.0, v/v/v/v) and ethyl acetate/methanol/water (3.0:1.0:4.0, v/v/v). The nuclear magnetic resonance spectroscopy confirmed the structures of the compounds, and molecular docking and dynamics simulations assessed the inhibitory effects of the chemical components on AChE, which were consistent with the findings of the ultrafiltration experiments. We also confirmed the neuroprotective properties of these compounds against glutamate-induced apoptosis in PC12 cells. Overall, we achieved the systematic optimization of multitarget compound extraction and lipophilic alkaloid ultrafiltration screening, as well as preparation and activity validation, laying the groundwork for the development of AChE inhibitors from lipophilic alkaloids.

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来源期刊
Journal of separation science
Journal of separation science 化学-分析化学
CiteScore
6.30
自引率
16.10%
发文量
408
审稿时长
1.8 months
期刊介绍: The Journal of Separation Science (JSS) is the most comprehensive source in separation science, since it covers all areas of chromatographic and electrophoretic separation methods in theory and practice, both in the analytical and in the preparative mode, solid phase extraction, sample preparation, and related techniques. Manuscripts on methodological or instrumental developments, including detection aspects, in particular mass spectrometry, as well as on innovative applications will also be published. Manuscripts on hyphenation, automation, and miniaturization are particularly welcome. Pre- and post-separation facets of a total analysis may be covered as well as the underlying logic of the development or application of a method.
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