| 刘文丽,张元发,孙艺轩,李丽.LC-MS/MS联合网络药理学和分子对接技术分析侧柏叶乙酸乙酯提取物缓解糖尿病心肌病的分子机制[J].济宁医学院学报,2026,49(5):417-424 |
| LC-MS/MS联合网络药理学和分子对接技术分析侧柏叶乙酸乙酯提取物缓解糖尿病心肌病的分子机制 |
| Elucidating the molecular mechanisms of ethyl acetate extract from Platycladusorientalis leaves alleviating diabetic cardiomyopathy via integrated LC-MS/MS analysis,network pharmacology,and molecular docking |
| 投稿时间：2025-12-22 |
| DOI：10.3969/j.issn.1000-9760.2026.05.006 |
| 中文关键词: 侧柏叶乙酸乙酯提取物 网络药理学 LC-MS/MS 糖尿病心肌病 分子对接 |
| 英文关键词: Ethyl acetate extract from Platycladus orientalis leaves Network pharmacology LC-MS/MS Diabetic cardiomyopathy Molecular docking |
| 基金项目:山东省中医药科技项目（M-2023181） |
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| 摘要点击次数: 34 |
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| 中文摘要: |
| 目的 探讨侧柏叶乙酸乙酯提取物（EAEPOL）改善糖尿病心肌病（DCM）的潜在药效物质及作用机制。方法 制备EAEPOL，采用LC-MS/MS技术鉴定其化学成分；通过网络药理学方法筛选EAEPOL活性成分与DCM相关靶点，获取药物-疾病共同靶点；构建“药物-成分-疾病-靶点”网络并筛选核心成分；通过蛋白互作（PPI）网络分析关键靶点；采用GO和KEGG富集分析探讨生物过程与信号通路；最后通过分子对接验证核心成分与关键靶点的结合能力。结果 LC-MS/MS鉴定出EAEPOL中60种化合物，网络药理学筛选出苦木西碱S、三棱酸、穿心莲苷、Isosamarcandin和杠柳苷元等核心活性成分；获得114个药物-疾病共同靶点，其中AKT1、TNF、PPARG、EGFR、MAPK3为核心靶点；富集分析显示EAEPOL可能通过调控PI3K-Akt、MAPK和AGE-RAGE信号通路发挥治疗作用；分子对接结果表明核心成分与核心靶点间具有较强亲和力。结论 EAEPOL具有缓解DCM的潜力，其作用机制可能与多成分、多靶点、多通路协同调控有关，为后续深入研究提供了理论依据。 |
| 英文摘要: |
| Objective To investigate the potential active components and mechanisms of the ethyl acetate extract of Platycladus orientalis leaves (EAEPOL) in ameliorating diabetic cardiomyopathy (DCM).Methods EAEPOL was prepared,and its chemical constituents were identified using LC-MS/MS.Network pharmacology methods were employed to screen the active components of EAEPOL and DCM-related targets,yielding common drug-disease targets.A "drug-component-disease-target" network was constructed to identify core components.Protein-protein interaction (PPI) network analysis was used to pinpoint key targets.Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were conducted to explore relevant biological processes and signaling pathways.Finally,molecular docking was performed to validate the binding affinities between the core components and key targets.Results LC-MS/MS identified 60 compounds in EAEPOL.Network pharmacology screening revealed five core active components:picrasidine S,tangshen acid,rographolide,isosamarcandin,and periplogenin.A total of 114 common drug-disease targets were obtained,with AKT1,TNF,PPARG,EGFR,and MAPK3 identified as core targets.Enrichment analysis indicated that EAEPOL might exert therapeutic effects by regulating the PI3K-Akt,MAPK,and AGE-RAGE signaling pathways.Molecular docking results demonstrated strong binding affinity between the core components and core targets.Conclusion EAEPOL shows potential in alleviating DCM.The underlying mechanism may involve the synergistic regulation of multiple components,targets,and pathways,providing a theoretical basis for further in-depth studies. |
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