基于网络药理学探讨泽泻饮治疗“酒风”的作用机制

Mechanism of Zexieyin in the treatment of“Jiufeng”based on network pharmacology

目的通过网络药理学探讨泽泻饮治疗“酒风”的作用机制。方法利用多个数据库收集泽泻饮治疗“酒风”的活性成分和交集靶点,随后构建蛋白互作网络图、药物-活性成分-交集靶点网络图,并进行富集分析和分子对接验证。结果筛选出6个核心活性成分,分别为山柰酚、槲皮素、泽泻醇A、23-乙酰泽泻醇B、泽泻醇C、白术内酯I,IL-1β、TNF、AKT1、MAPK3等8个关键靶点。通过Metascape数据库分析后得到450条GO生物过程及192条KEGG相关信号通路,主要涉及癌症通路、TRP通道的炎症介质调节、AMPK信号通路等。核心活性成分与关键靶点的结合能力较好。结论通过网络药理学和分子对接验证,发现其可以通过山柰酚、槲皮素、泽泻醇A、23-乙酰泽泻醇B、泽泻醇C、白术内酯I等成分作用于IL-1β、TNF、AKT1、MAPK3等靶点发挥抗炎、免疫、调控细胞增殖凋亡等作用,为今后进一步研究“酒风”提供依据。

Objective To explore the mechanism of action of Zexieyin in the treatment of“Jiufeng”through network pharmacology.Methods Using multiple databases to collect the active ingredients and intersection targets of Zexieyin in the treatment of“Jiufeng”,then constructing protein interaction network diagrams and drug active ingredient intersection target network diagrams,and conducting enrichment analysis and molecular docking verification.Results Six core active ingredients were selected,including kaempferol,quercetin,alisol A,23-acetylalisol B,alisol C,atractylolide I,and eight key targets including IL-1β、TNF,AKT1,MAPK3.After analyzing the Metascape database,450 GO biological processes and 192 KEGG related signaling pathways were identified,mainly involving cancer pathways,inflammatory mediator regulation of TRP channels,and AMPK signaling pathways.The binding ability of the core active ingredients to key targets is good.Conclusion Through the network pharmacology and molecular docking verification,it is found that it can act on targets such as IL-1β,TNF,AKT1,and MAPK3 through kaempferol,quercetin,alisol A,23-acetyl alisol B,alisol C,atractylide I and other components,and play a role in anti-inflammation,immunity,regulation of cell proliferation and apoptosis,and providing a basis for further research on“Jiufeng”in the future.