| 张娜,汪云雯,杨明华.基于网络药理学与分子对接技术的“黄芪-水蛭”药对治疗糖尿病肾病作用机制探析[J].浙江中西医结合杂志,2026,36(1): |
| 基于网络药理学与分子对接技术的“黄芪-水蛭”药对治疗糖尿病肾病作用机制探析 |
| Study on the Mechanism of Astragalus-Leech Against Diabetic Kidney Disease Based on Network Pharmacology and Molecular Docking |
| 投稿时间：2025-01-03 修订日期：2025-12-23 |
| DOI： |
| 中文关键词: 黄芪 水蛭 糖尿病肾病 网络药理学 分子对接 |
| 英文关键词:astragalus leech diabetic kidney disease network pharmacology molecular docking techniques |
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| 中文摘要: |
| 目的：基于网络药理学和分子对接技术分析“黄芪-水蛭”药对治疗糖尿病肾病(DKD)的潜在活性成分与作用机制。方法： 通过检索HERB、BATMAN-TCM、SymMap v2等数据库筛选出黄芪和水蛭的活性成分,结合SwissTargetPrediction平台,获得对应的作用靶点；通过GeneCards数据库获取DKD相关靶点并与成分靶点相较,筛选获得成分-疾病共同靶点；利用SRTING平台与Cytoscape软件构建蛋白-蛋白相互作用(PPI)网络,筛选潜在核心靶点；借助Cytoscape软件构建“药物-活性成分-靶点基因”网络图,筛选关键成分；运用CN-DOCK2平台对关键成分与潜在核心靶点进行分子对接验证；借助Metascape平台进行潜在靶标的GO分析与KEGG通路分析。结果： 筛选得到“黄芪-水蛭”药对活性成分71个、药物-疾病共同靶点362个,其中关键活性成分为3,9-二-O-甲基尼松林、美迪紫檀素、异微凸剑叶莎醇、异鼠李素、华良姜素、辣椒素、槲皮素、山奈酚、番红花酸等；潜在核心靶点为IL6、AKT1、TNF、SRC、EGFR、STAT3、BCL2、CASP3、JUN、HSP90AA1；分子对接结果显示关键活性成分与潜在核心靶点具有较高亲和力；作用机制涉及激素反应、磷代谢、脂代谢、胰岛素抵抗、炎症反应、免疫反应、细胞凋亡等。结论： 黄芪-水蛭药对通过多成分调控cAMP、NF-kB、Apelin、Wnt、P53等信号通路,进而改善胰岛素抵抗、调节脂代谢、抑制炎症反应、调节免疫反应与细胞凋亡等,综合发挥治疗DKD的作用。 |
| 英文摘要: |
| Objective： To explore the potential active ingredients and mechanism of Astragalus-Leech in the treatment of diabetic kidney disease (DKD) based on network pharmacology and molecular docking. Methods： The active ingredients of Astragalus and leech were screened by HERB, BATMAN-TCM, and SymMap v2 databases with corresponding targets obtained by SwissTargetPrediction. DKD-related targets were collected from the GeneCards database, with the co-targets obtained subsequently. To screen potential core targets, a protein-protein interaction (PPI) network was constructed using STRING and Cytoscape; Through constructing a “drug-active ingredient-target gene” network by Cytoscape, the key ingredients were screened. Molecular docking was performed using CN-DOCK2 to evaluate the affinity between key ingredients and potential targets. GO and KEGG enrichment analysis of co-targets was performed by the Metascape database. Results： 71 active ingredients and 362 drug-disease co-targets were obtained, among which the key active ingredients were 3,9-di-O-methylnisin, medicarpin, isomucronulatol, isorhamnetin, kumatakenin, capsaicin, quercetin, kaempferol, crocetin, etc. and the potential core targets were IL6, AKT1, TNF, SRC, EGFR, STAT3, BCL2, CASP3, JUN, HSP90AA1. IL6, AKT1, TNF, SRC, EGFR, STAT3, BCL2, CASP3, JUN, HSP90AA1. Molecular docking results exhibited that the key active ingredients have a high affinity with the potential core targets. In addition, the mechanism of action involves hormone response, phosphorus metabolism, lipid metabolism, insulin resistance, inflammation, immune response, apoptosis, and so on. Conclusion： The Astragalus-Leech played a comprehensive role in the treatment of DKD through multi-component modulation of signaling pathways such as cAMP, NF-kB, Apelin, Wnt, P53 and so on, which in turn improves insulin resistance, regulates lipid metabolism, inhibits inflammatory response, and regulates immune response and cell apoptosis. |
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