[關鍵詞]
[摘要]
目的 探究苯乙醇苷類化合物(PHGs)對神經干細胞(NSCs)增殖的影響,揭示PHGs促神經再生作用的構效關系,并運用網絡藥理學方法及分子對接初步探究PHGs促進神經再生的機制。方法 利用胎鼠NSCs及CCK-8法比較PHGs促NSCs增殖的作用,借助網絡藥理學預測PHGs活性成分促進神經再生的關鍵靶點及通路,選取活性成分、活性成分共同作用靶點進行分子對接。結果 CCK-8結果顯示,紅景天苷不能促進NSCs的增殖,安格洛苷C對NSCs的增殖具有一定的效果,木通苯乙醇苷B、毛蕊花糖苷、異毛蕊花糖苷、松果菊苷和管花苷A對NSCs增殖的促進效果較好。6種PHGs通過作用于AKR1B1、APP、CA2等靶點及Ras、絲裂原活化蛋白激酶(MAPK)等通路發(fā)揮神經再生作用,活性成分與其共同作用靶點蛋白結合能力較好。結論 PHGs通過多靶點、多通路發(fā)揮神經再生作用,其促神經再生作用與結構相關,苯丙烯?;荘HGs發(fā)揮作用的重要基團,甲氧基的有無、糖基的數(shù)量、糖基的位置及乙?;挠袩o,都會影響PHGs的促進作用。
[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.
[中圖分類號]
R285.5
[基金項目]