[关键词]
[摘要]
目的 探究苯乙醇苷类化合物(PHGs)对神经干细胞(NSCs)增殖的影响,揭示PHGs促神经再生作用的构效关系,并运用网络药理学方法及分子对接初步探究PHGs促进神经再生的机制。方法 利用胎鼠NSCs及CCK-8法比较PHGs促NSCs增殖的作用,借助网络药理学预测PHGs活性成分促进神经再生的关键靶点及通路,选取活性成分、活性成分共同作用靶点进行分子对接。结果 CCK-8结果显示,红景天苷不能促进NSCs的增殖,安格洛苷C对NSCs的增殖具有一定的效果,木通苯乙醇苷B、毛蕊花糖苷、异毛蕊花糖苷、松果菊苷和管花苷A对NSCs增殖的促进效果较好。6种PHGs通过作用于AKR1B1、APP、CA2等靶点及Ras、丝裂原活化蛋白激酶(MAPK)等通路发挥神经再生作用,活性成分与其共同作用靶点蛋白结合能力较好。结论 PHGs通过多靶点、多通路发挥神经再生作用,其促神经再生作用与结构相关,苯丙烯酰基是PHGs发挥作用的重要基团,甲氧基的有无、糖基的数量、糖基的位置及乙酰基的有无,都会影响PHGs的促进作用。
[Key word]
[Abstract]
Objective To investigate the effects of phenylethanoid glycosides (PHGs) on the proliferation of neural stem cells (NSCs), reveal the structure-activity relationship of PHGs in neural regeneration, and explore the mechanism of PHGs promoting neural regeneration using network pharmacology methods and molecular docking. Methods The effect of PHGs on promoting NSCs proliferation was compared using fetal mouse NSCs and CCK-8 assay. Network pharmacology was used to predict the key targets and pathways of PHGs active ingredients in promoting neural regeneration. The active ingredients and their combined targets were selected for molecular docking. Results The CCK-8 results showed that salidroside could not promote the proliferation of NSCs, while angoroside C had a certain effect on the proliferation of NSCs. Calceolarioside B, acteoside, isoacteoside, echinacoside, and tubuloside A had better promoting effects on the proliferation of NSCs. Seven types of PHGs exert neural regeneration effects by acting on targets such as AKR1B1, APP, CA2, as well as pathways such as Ras signaling pathway and MAPK signaling pathway. The active ingredients had a good binding ability to the target proteins they interact with. Conclusion PHGs exert neural regeneration through multiple targets and pathways, and their neural regeneration is structurally related. Phenylacryloyl is an important functional group for PHGs, and the presence or absence of methoxy groups, the number and position of sugar groups, and the presence or absence of acetyl groups all affect the promoting effect of PHGs.
[中图分类号]
R285.5
[基金项目]