[关键词]
[摘要]
【目的】分析鱼腥草-益母草治疗系统性红斑狼疮 (SLE) 的活性成分及作用机制。 【方法】通过TCMSP数据库获取鱼腥草-益母草的主要化学成分及其靶点,根据ADME筛选中药活性组分;通过Genecards数据库获取SLE潜在治疗靶点。利用STRING数据库构建蛋白-蛋白互作 (PPI) 网络,并挖掘网络中潜在的蛋白质功能模块。通过分子对接技术,进一步验证发挥治疗效用的成分与靶点作用机制。 【结果】共获得鱼腥草-益母草-SLE交集靶点198个。筛选出异热马酮、异前益母草乙素、山柰酚、槲皮素等核心活性成分,IL6、AKT1、SRC、STAT3、EGFR等核心靶点。基因本体论 (GO) 功能富集分析共筛选出1 001个条目,主要涉及蛋白质及其激酶的反应、炎症等。京都基因与基因组百科全书 (KEGG) 共富集166条通路,包括癌症通路、PI3K-Akt信号通路、神经活性配体受体相互作用通路等。分子对接结果显示鱼腥草-益母草核心活性成分与核心靶点之间结合活性强烈,初步验证了上述网络药理学结果。 【结论】鱼腥草-益母草可能通过异热马酮等活性成分作用于核心靶点IL6、AKT1、SRC、STAT3、EGFR,调节癌症通路、PI3K-Akt信号通路、神经活性配体受体相互作用通路,发挥治疗SLE的作用。
[Key word]
[Abstract]
Objective To analyze the active components and mechanism of action of Houttuyniae Herba-Leonuri Herba in treating systemic lupus erythematosus (SLE) . Methods The main chemical components of Houttuyniae Herba-Leonuri Herba and their targets through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) were obtained,and the active components of the Chinese medicine according to ADME were screened;the potential therapeutic targets of SLE through Genecards database were obtained. The protein-protein interactions (PPI) network was constructed by using the STRING 12.0 database,and the potential protein functional modules in the network was mined. The molecular docking technique was used to further validate the action mechanism of components and targets which played a therapeutic role. Results A total of 198 Houttuyniae Herba-Leonuri Herba-SLE intersection targets were obtained. Core active ingredients such as isothermalone, iso-preleoheterin, kaempferol, and quercetin and core targets such as IL6, AKT1, SRC,STAT3 and EGFR were screened out. A total of 1 001 entries were screened by Gene Ontology(GO) functional enrichment analysis,which were mainly related to the reaction of proteins and their kinases,and inflammation,etc.. A total of 166 pathways were enriched in Kyoto Encyclopedia of Genes and Genomes (KEGG),including cancer pathway, PI3K-Akt signaling pathway, neuroactive ligand-receptor pathway, and so on. Molecular docking results showed that the core active components of Houttuyniae Herba-Leonuri Herba had great binding activities with their core targets,which preliminarily verified the above network pharmacology results. Conclusion Houttuyniae Herba-Leonuri Herba may exerts a therapeutic effect on SLE through core ingredients such as isothermalone acting on core targets such as IL6,AKT1,SRC,STAT3 and EGFR,and regulating cancer pathway,PI3K-Akt signaling pathway and neuroactive ligand-receptor interaction.
[中图分类号]
R285.5
[基金项目]
广东省中医药局科研项目 (编号:20231165)