亚热带植物科学 ›› 2026, Vol. 55 ›› Issue (2): 153-168.DOI: 10.3969/j.issn.1009-7791.2026.02.003

• 研究论文 • 上一篇    下一篇

基于网络药理学和肝脏代谢组学分析三七皂苷R1治疗小鼠急性肝损伤作用机制

游小凤,张燕燕,魏艺聪*   

  1. (福建中医药大学药学院,福建 福州 350122)
  • 收稿日期:2025-11-06 接受日期:2026-02-05 出版日期:2026-04-30 发布日期:2026-07-06
  • 通讯作者: 魏艺聪
  • 基金资助:
    福建中医药大学基础类学科科研提升计划项目(XJC2022016)

Exploring the Mechanism of Notoginsenoside R1 against Acute Liver Injury in Mice by Integrating Network Pharmacology and Hepatic Metabolomics

YOU Xiao-feng, ZHANG Yan-yan, WEI Yi-cong*   

  1. (College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou 350122, Fujian China)
  • Received:2025-11-06 Accepted:2026-02-05 Online:2026-04-30 Published:2026-07-06
  • Contact: WEI Yi-cong

摘要: 通过整合网络药理学与代谢组学技术,探讨三七皂苷R1(NGR1)治疗急性肝损伤的潜在作用机制。采用脂多糖(LPS)构建小鼠急性肝损伤模型,应用NGR1给药治疗,通过病理染色观察肝脏病理变化,利用qRT-PCR检测炎症因子和纤维化相关基因的表达。利用TCMSP、PharmMapper、SwissTargetPrediction和Gene Cards等数据库获得NGR1与肝损伤疾病靶点,筛出核心靶点。构建蛋白互作网络,进行GO和KEGG分析,验证NGR1与关键靶点的结合能力。采用LC-MS技术,分析NGR1对LPS模型小鼠的调控作用。动物实验表明NGR1能改善LPS诱导的急性肝损伤。网络药理学筛选出64个靶点,NGR1可能通过PI3K-AKT、cAMP、嘌呤代谢等信号通路调控免疫炎症反应。分子对接结果表明,NGR1与靶点结合能均低于–5 kcal·mol–1,结合活性良好。LC-MS鉴定出27种内源性差异代谢物,NGR1干预显著改变了24 种差异代谢物的水平,代谢通路主要涉及嘌呤代谢、泛酸盐和CoA生物合成等。联合分析显示,二者均涉及嘌呤代谢通路。初步阐明NGR1可能通过嘌呤代谢通路改善急性肝损伤,为其临床应用及后续研究提供科学依据。

关键词: 三七皂苷R1, 急性肝损伤, 网络药理学, 代谢组学, 作用机制

Abstract: The potential mechanism of Notoginsenoside R1 (NGR1) in the treatment of acute liver injury was investigated by integrating network pharmacology and metabolomics. An acute liver injury model was established in mice using lipopolysaccharide (LPS). NGR1 was administered for treatment. Liver pathological changes were observed via histopathological staining, and the expression of inflammatory factors and fibrosis-related genes was detected by qRT-PCR. Databases including TCMSP, PharmMapper, SwissTargetPrediction, and GeneCards were used to identify potential targets of NGR1 and liver injury-related targets, from which core targets were screened. A protein-protein interaction (PPI) network was constructed, and Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed. The binding affinity between NGR1 and key targets was validated. LC-MS technology was employed to analyze the regulatory effects of NGR1 on LPS-induced model mice. The animal experiments demonstrated that NGR1 ameliorated LPS-induced acute liver injury. Network pharmacology screening identified 64 potential targets, suggesting that NGR1 might regulate immune-inflammatory responses through signaling pathways such as PI3K-AKT, cAMP, and purine metabolism. Molecular docking results indicated that the binding energies between NGR1 and the targets were all below –5 kcal·mol–1, suggesting good binding activity. LC-MS analysis identified 27 endogenous differential metabolites, and NGR1 intervention significantly altered the levels of 24 of them. The affected metabolic pathways primarily involved purine metabolism, pantothenate and CoA biosynthesis, among others. Integrated analysis revealed that both network pharmacology and metabolomics implicated the purine metabolism pathway. This study preliminarily elucidates that NGR1 may alleviate acute liver injury via the purine metabolism pathway, providing a scientific basis for its clinical application and further research.

Key words: Notoginsenoside R1, acute liver injury, network pharmacology, metabolomics, mechanism of action

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