[1]张丽,王瑞杰,王钢,等.基于网络药理学与分子对接探讨补肾通络方治疗类风湿关节炎的作用机制及干预作用[J].西部中医药,2026,39(08):50-57.[doi:10.12174/j.issn.2096-9600.2026.08.12]
　ZHANG Li,WANG Ruijie,WANG Gang,et al.Exploring the Mechanism and Interventional Effects of Bushen Tongluo Formula in the Treatment of Rheumatoid Arthritis Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2026,39(08):50-57.[doi:10.12174/j.issn.2096-9600.2026.08.12]
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基于网络药理学与分子对接探讨补肾通络方治疗类风湿关节炎的作用机制及干预作用()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
39
期数:
2026年08期
页码:
50-57
栏目:
二次研究
出版日期:
2026-07-29

文章信息/Info

Title:
Exploring the Mechanism and Interventional Effects of Bushen Tongluo Formula in the Treatment of Rheumatoid Arthritis Based on Network Pharmacology and Molecular Docking
作者:
张丽1, 王瑞杰1,2, 王钢3, 毛军1, 李俊江4, 王吉全1, 方鹏飞1
1.白银市中西医结合医院，甘肃 白银 730900
2.甘肃中医药大学中西医结合学院，甘肃 兰州 730000
3.甘肃中医药大学附属医院，甘肃 兰州 730000
4.甘肃省中医院，甘肃 兰州 730050
Author(s):
ZHANG Li1, WANG Ruijie1,2, WANG Gang3, MAO Jun1, LI Junjiang4, WANG Jiquan1, FANG Pengfei1
1.Baiyin Hospital of Integrative Medicine, Baiyin 730900, China
2.College of Integrative Medicine, Gansu University of Chinese Medicine, Lanzhou 730000, China
3.Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou 730000, China
4.Gansu Provincial Hospital of Traditional Chinese Medicine, Lanzhou 730050, China
关键词:
补肾通络方; 类风湿关节炎; 网络药理学; 分子对接
Keywords:
Formula; rheumatoid arthritis; network pharmacology; molecular docking
分类号:
R255.6
DOI:
10.12174/j.issn.2096-9600.2026.08.12
文献标志码:
A
摘要:
目的运用网络药理学联合分子对接技术，探究补肾通络方干预类风湿关节炎的作用靶点及分子作用机制。 方法通过中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）及BATMAN数据库（bioinformatics analysis tool for molecular mechanism，BATMAN）筛选获取补肾通络方活性成分及作用靶点；构建蛋白质-蛋白质相互作用（protein-protein interaction，PPI）网络筛选核心靶点；运用DAVID数据库开展基因本体论（gene ontology，GO）功能富集与京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes，KEGG）途径富集分析；采用分子对接技术验证方剂核心活性成分与关键靶点蛋白的结合活性。 结果共筛选得到补肾通络方有效作用靶点115个；经PPI网络拓扑分析确定肿瘤坏死因子（tumor necrosis factor，TNF）、基质金属蛋白酶9（matrix metallopeptidase-9，MMP-9）、JUN原癌基因（JUN）、血管内皮生长因子 A（vascular endothelial growth factor A，VEGFA）、C-X-C基序趋化因子配体8（C-X-C motif chemokine ligand 8，CXCL8）、前列腺素内过氧化物合酶2（prostaglandin-endoperoxide synthase 2，PTGS2）、表皮生长因子受体（epidermal growth factor receptor，EGFR）、过氧化物酶体增殖物激活受体γ（peroxisome proliferator activated receptor gamma，PPARGγ）、骨髓细胞瘤癌（myelocytomatosis oncogene，MYC）、FOS原癌基因（FOS）为核心调控靶点。GO富集结果显示其主要调控急性炎症应答、氧化应激反应等生物学过程；KEGG通路富集主要富集于IL-17信号通路、破骨细胞分化通路、TNF信号通路等炎症及骨代谢相关通路。分子对接结果证实，补肾通络方主要活性成分与B细胞κ轻肽基因增强子核因子抑制因子（α nuclear factor of kappa light polypeptide gene enhancer in Bcells inhibitor，NFKBIA）、B细胞κ轻肽基因增强子核因子2（nuclear factor of kappa light polypeptide gene enhancer in Bcells2，NFKB2）等炎症关键靶点蛋白具备良好的结合亲和力。 结论明确了补肾通络方治疗类风湿关节炎的潜在作用靶点与信号通路，为深入阐释其作用分子机制及后续实验研究提供科学依据与新思路。
Abstract:
ObjectiveTo explore the therapeutic targets and molecular mechanisms of Bushen Tongluo (Kidney-tonifying and Collateral-dredging) Formula in the intervention of rheumatoid arthritis (RA) through network pharmacology combined with molecular docking. MethodsThe active ingredients and corresponding action targets of Bushen Tongluo Formula were screened and obtained through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and the BATMAN database (Bioinformatics Analysis Tool for Molecular Mechanism). A protein-protein interaction (PPI) network was constructed to screen for core targets. Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using the DAVID database. Molecular docking technology was employed to validate the binding affinity between the core active ingredients of the formula and the key target proteins. ResultsA total of 115 effective action targets of Bushen Tongluo Formula were screened. Through PPI network topology analysis, tumor necrosis factor (TNF), matrix metallopeptidase-9 (MMP-9), JUN proto-oncogene (JUN), vascular endothelial growth factor A (VEGFA), C-X-C motif chemokine ligand 8(CXCL8), prostaglandin-endoperoxide synthase 2 (PTGS2), epidermal growth factor receptor (EGFR), peroxisome proliferator-activated receptor gamma (PPARG), myelocytomatosis oncogene (MYC), and FOS proto-oncogene (FOS) were identified as core regulatory targets. GO enrichment analysis revealed that these targets were mainly involved in biological processes such as acute inflammatory response and oxidative stress response. KEGG pathway enrichment analysis showed significant enrichment in inflammation- and bone metabolism-related pathways, including the IL-17 signaling pathway, osteoclast differentiation pathway, and TNF signaling pathway. Molecular docking results confirmed that the main active components of Bushen Tongluo Formula exhibited good binding affinity with key inflammatory target proteins, including nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha (NFKBIA) and nuclear factor of kappa light polypeptide gene enhancer in B-cells 2 (NFKB2). ConclusionThe potential therapeutic targets and signaling pathways of the Bushen Tongluo Formula in the treatment of RA have been elucidated, thereby providing a scientific basis and new insights for further in-depth exploration of its molecular mechanisms and subsequent experimental studies.

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备注/Memo

备注/Memo:
甘肃省青年科技基金（22JR5RD1024）；甘肃省中医药科研课题（GZKP-2022-45）；甘肃省第三批次陇原青年英才计划（省委人才小组发〔2024〕11号）；甘肃省第四批次陇原青年英才计划（省委人才小组发〔2025〕11号）。张丽（1988—），女，副主任药师。研究方向：中药临床药学、中药制剂工艺研究。
更新日期/Last Update: 2026-08-15