[1]王雪莹,李潇然,赵进喜,等.网络药理学与分子对接法探究鬼箭羽-牛蒡子药对治疗糖尿病肾病的机制[J].西部中医药,2026,39(03):115-121.[doi:10.12174/j.issn.2096-9600.2026.03.22]
　WANG Xueying,LI Xiaoran,ZHAO Jinxi,et al.Investigating the Mechanism of Guijianyu - Niubangzi Herb Pair Against Diabetic Kidney Disease Using Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2026,39(03):115-121.[doi:10.12174/j.issn.2096-9600.2026.03.22]
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网络药理学与分子对接法探究鬼箭羽-牛蒡子药对治疗糖尿病肾病的机制()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
39
期数:
2026年03期
页码:
115-121
栏目:
二次研究
出版日期:
2026-03-15

文章信息/Info

Title:
Investigating the Mechanism of Guijianyu - Niubangzi Herb Pair Against Diabetic Kidney Disease Using Network Pharmacology and Molecular Docking
作者:
王雪莹1, 李潇然2, 赵进喜2, 张华2, 郑晓艳2
1.首都医科大学电力教学医院，北京 100073
2.北京中医药大学东直门医院，北京 100700
Author(s):
WANG Xueying1, LI Xiaoran2, ZHAO Jinxi2, ZHANG Hua2, ZHENG Xiaoyan2
1.Beijing Electric Power Hospital, Capital Medical University, Beijing 100073, China
2.Dongzhimen Hospital of Beijing University of Chinese Medicine, Beijing 100700, China
关键词:
糖尿病肾病; 鬼箭羽; 牛蒡子; 网络药理学; 分子对接
Keywords:
diabetic kidney disease; network pharmacology; molecular docking
分类号:
R259
DOI:
10.12174/j.issn.2096-9600.2026.03.22
文献标志码:
A
摘要:
目的基于网络药理学方法探讨鬼箭羽-牛蒡子药对治疗糖尿病肾病（diabetic kidney disease，DKD）的作用机制。 方法从中药系统药理学数据库和分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）检索药物活性成分及靶点，利用Swiss Target Prediction网站预测药物靶点，通过GeneCards、OMIM、PharmGkb数据库检索DKD靶点，通过STRING平台及Cytoscape软件构建蛋白互作及药病靶点网络，获得网络核心靶点，通过R软件进行基因本体功能分析及京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes，KEGG）通路分析，最终通过VINA软件完成主要成分及核心靶点的分子对接。 结果研究共获得药物成分槲皮素、β-胡萝卜素、山柰酚、β-谷甾醇等成分14个。获得鬼箭羽靶点226个，牛蒡子靶点108个，疾病靶点3514个，得到包括核心靶点原癌基因（transcription factor jun，JUN）、原癌基因酪氨酸蛋白激酶（proto-oncogene tyrosine-protein kinase Src，SRC）、转录因子p65（transcription factor p65，RELA）、连环蛋白β1（catenin beta-1，CTNNB1）、细胞肿瘤抗原p53（cellular tumor antigen p53，TP53）等在内的药物疾病交集靶点共153个。鬼箭羽、牛蒡子药对治疗糖尿病肾病主要通过脂质和动脉粥样硬化、晚期糖基化产物、流体剪切应力与动脉粥样硬化通路，参与调节脂多糖应答、氧化应激应答等生物学过程。分子对接证明核心靶点及主要成分间具有较高的结合活性。 结论鬼箭羽、牛蒡子在调节炎症免疫反应、调节糖脂代谢、抗动脉粥样硬化方面具有相互协同互补的复杂的药理作用机制，后续将继续深入实验研究。
Abstract:
ObjectiveTo discuss the mechanism of Guijianyu (Euonymus alatus) - Niubangzi (Arctium lappa) herb pair in the treatment of diabetic kidney disease (DKD) based on network pharmacology. MethodsActive components and corresponding targets of the herb pair were retrieved from TCMSP. Potential drug targets were predicted using the Swiss Target Prediction website. DKD-related targets were identified by searching the GeneCards, OMIM, and PharmGkb databases. A protein-protein interaction (PPI) network and a compound-disease target network were constructed using the STRING platform and Cytoscape software to obtain the core network targets. Gene Ontology (GO) functional analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using R software. Finally, molecular docking between the main components and core targets was conducted using VINA software. ResultsA total of 14 active components of the herb pair were identified, including quercetin, β-carotene, kaempferol, and β-sitosterol. A total of 226 targets for Guijianyu and 108 targets for Niubangzi were obtained, along with 3,514 targets related to DKD. A total of 153 common targets between the herb pair and DKD were identified, including core targets such as transcription factor Jun (JUN), proto-oncogene tyrosine-protein kinase Src (SRC), transcription factor p65 (RELA), catenin beta-1 (CTNNB1), and cellular tumor antigen p53 (TP53). Guijianyu - Niubangzi herb pair treats DKD primarily through pathways such as lipid and atherosclerosis, advanced glycation end-products (AGEs), and fluid shear stress and atherosclerosis, and is involved in regulating biological processes including the response to lipopolysaccharide and response to oxidative stress. Molecular docking confirmed that the core targets exhibit high binding activity with the main active components. Conclusion Guijianyu - Niubangzi herb pair exhibit complex, synergistic, and complementary pharmacological mechanisms in regulating inflammatory immune responses, modulating glucose and lipid metabolism, and combating atherosclerosis. These mechanisms warrant further in-depth experimental investigation in subsequent studies.

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备注/Memo

备注/Memo:
国家自然科学基金（8207151004）。王雪莹（1994—），女，硕士学位，主治医师。研究方向：内分泌代谢病的中西医结合诊治。
更新日期/Last Update: 2026-03-15