摘要
目的:分析三物黄芩汤异病同治盆腔炎与前列腺炎的分子机制。方法:运用中药系统药理数据库和分析平台TCMSP、HERB数据库、Pubchem数据库、SwissTargetPrediction数据库筛选三物黄芩汤的主要活性成分及靶点;利用GeneCards、OMIM数据库获取盆腔炎与前列腺炎相关靶点,取交集获取药物与疾病的共同靶点;将交集靶点导入STRING数据库构建蛋白互作网络,利用Cytoscape3.10.0软件进行可视化处理并获取关键靶点。通过DAVID数据库对靶点进行基因本体论(GO)功能分析和京都基因与基因组百科全书(KEGG)富集分析,构建有效成分-交集靶点-通路网络图,针对关键靶点及主要活性成分开展分子对接验证。结果:从数据库中共筛选出三物黄芩汤58个有效成分以及427个作用靶点。与盆腔炎与前列腺炎进行交集分析后得到交集靶点97个;利用Network Analyer插件筛选出槲皮素、β-谷甾醇等核心成分,蛋白激酶B1(AKT1)、B细胞淋巴瘤因子2(BCL2)、信号转导及转录激活因子3(STAT3)等核心靶点。GO功能共富集基因表达等811个条目,KEGG共富集肿瘤坏死因子(TNF)、丝裂原活化蛋白激酶(MAPK)等96条通路。分子对接显示,关键靶点(AKT1、BCL2、STAT3)与主要活性成分(槲皮素、β-谷甾醇)之间能自由结合,且槲皮素与STAT3结合活性最强。结论:三物黄芩汤中槲皮素、β-谷甾醇素等成分作用于AKT1、BCL2、STAT3等靶点,调控肿瘤坏死因子、丝裂原活化蛋白激酶通路等发挥异病同治盆腔炎与前列腺炎的作用。
Objective:To analyze the molecular mechanisms of Sanwu Huangqin Decoction in the treatment of pelvic inflammatory disease(PID)and prostatitis with homotherapy for heteropathy.Methods:The main active components and targets of Sanwu Huangqin Decoction were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),HERB database,PubChem database,and SwissTargetPrediction database.Related targets of PID and prostatitis were obtained from GeneCards and OMIM databases,and the intersection was taken to obtain common targets between the medicinals and diseases.The intersection targets were imported into the STRING database to construct a protein-protein interaction(PPI)network,and Cytoscape 3.10.0 software was used for visualization and to identify key targets.Gene Ontology(GO)functional analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis of the targets were performed using the DAVID database,and an active component-intersection target-pathway network diagram was constructed.Molecular docking validation was conducted for key targets and main active components.Results:A total of 58 active components and 427 targets of Sanwu Huangqin Decoction were screened from the databases.After intersection analysis with PID and prostatitis,97 intersection targets were obtained.Using the Network Analyzer plugin,core components such as quercetin andβ-sitosterol,and core targets such as protein kinase B1(AKT1),B-cell lymphoma 2(BCL2),and signal transducer and activator of transcription 3(STAT3)were identified.GO functional analysis enriched 811 entries related to gene expression,and KEGG analysis enriched 96 pathways,including tumor necrosis factor(TNF)and mitogen-activated protein kinase(MAPK).Molecular docking showed that key targets(AKT1,BCL2,and STAT3)could freely bind with main active components(quercetin,β-sitosterol),with the strongest binding activity between quercetin and STAT3.Conclusion:Components such as quercetin andβ-sitosterol in Sanwu Huangqin Decoction act on targets like AKT1,BCL2,and STAT3,regulating pathways such as the TNF and MAPK pathways,to exert therapeutic effects on PID and prostatitis with homotherapy for heteropathy.
作者
袁源
黄源鹏
YUAN Yuan;HUANG Yuanpeng(The First Clinical Medical College,Fujian University of Traditional Chinese Medicine,Fuzhou Fujian 350122,China;Department of Geriatrics,Xiamen Hospital of Traditional Chinese Medicine Affiliated to Fujian University of Traditional Chinese Medicine,Xiamen Fujian 361015,China)
出处
《新中医》
2025年第11期24-31,共8页
New Chinese Medicine
基金
国家自然科学基金(82074508)
福建省自然科学基金(2023J011627)
福建省卫健委科技计划项目(2023CXB003)
厦门市扶持中医药发展专项中医药科研项目(XWZY-2023-0603)。
关键词
盆腔炎
前列腺炎
三物黄芩汤
异病同治
网络药理学
分子对接
Pelvic inflammatory disease
Prostatitis
Sanwu Huangqin Decoction
Homotherapy for Heteropathy
Network pharmacology
Molecular docking
