基于数据挖掘和网络药理学探究中药治疗IgA肾病的核心物质及其分子机制OA
Core Active Substances and Molecular Mechanisms of Traditional Chinese Medicine in Treating IgA Nephropathy Based on Data Mining and Network Pharmacology
目的 基于数据挖掘、网络药理学预测中药治疗IgA肾病(IgA nephropathy,IgAN)的机制,通过体外实验验证.方法 在古今医案云平台检索治疗IgAN的名家医案,筛选核心药物.在TCMSP等数据库检索药物靶点,在Genecards等数据库中检索IgAN靶点,用韦恩图取交集,建立疾病-成分-靶点网络图.建立PPI网络,进行GO与KEGG分析,采用分子对接验证.建立IgAN细胞模型,设立对照组、模型组(IgA)、不同浓度药物组(槲皮素),采用CCK-8法检测各组细胞活力;ELISA法检测各组分泌IL-6水平;RT-qPCR法检测各组靶点水平.结果 数据挖掘得到黄芪频次最高,达144次;中药属性以寒、甘、肝、清热解毒为主.网络药理学分析出核心物质为槲皮素、山柰酚、木犀草素、汉黄芩素、异鼠李素.PPI分析核心靶点为ESR1、IL-6、BCL-2、JUN、CASP3.分子对接验证了核心物质与靶点之间有强结合力.GO分析包含基因表达的正向调节;KEGG富集在AGE-RAGE信号通路、IL-17信号通路等.实验验证了槲皮素组干预后细胞活力升高(P<0.05),抑制了IL-6 因子表达(P<0.01),并上调了ESR1、BCL-2 的 mRNA 水平(P<0.05),下调 IL-6、JUN、CASP3的mRNA水平(P<0.05).结论 本研究筛选出治疗IgAN核心物质及对应靶点,实验验证了槲皮素增强IgA刺激下的细胞活力,抑制炎症因子分泌,调节靶点水平,为研究治疗IgAN分子机制提供有益参考.
Objective To predict the mechanism of traditional Chinese medicine(TCM)in treating IgA nephropathy(IgAN)based on data mining and network pharmacology,and to verify findings through in vitro experiments.Methods Medical case records for IgAN treatment were retrieved from the Ancient and Modern Medical Case Cloud Platform to screen core drugs.Drug targets were searched in databases including TCMSP,and IgAN targets were searched in databases such as Genecards.Venn diagrams were used to identify intersecting targets,establishing disease-component-target network maps.PPI networks were constructed,followed by GO and KEGG analysis,with molecular docking validation.An IgAN cell model was established with control groups,model groups(IgA),and drug-treated groups at different concentrations(quercetin).Cell viability was detected using CCK-8 assays;IL-6 secretion levels were measured by ELISA;target gene expression levels were detected by RT-qPCR.Results Data mining revealed Astragalus had the highest frequency at 144 occurrences;TCM properties were predominantly cold,sweet,hepatic-targeting,and heat-clearing with detoxifying effects.Network pharmacology analysis identified core substances as Quercetin、Luteolin、Kaempferol、Wogonin and Isorhamnetin.PPI analysis identified core targets as ESR1,IL-6,BCL-2,JUN,and CASP3.Molecular docking verified strong binding affinity between core substances and targets.GO analysis included positive regulation of gene expression;KEGG enrichment pathways included AGE-RAGE signaling and IL-17 signaling pathways.Experimental verification showed that quercetin intervention increased cell viability(P<0.05);suppressed IL-6 expression(P<0.01),and upregulated ESR1,BCL-2 mRNA levels(P<0.05),and downregulating IL-6,JUN,and CASP3 levels(P<0.05).Conclusion This study identified core therapeutic substances and corresponding targets,and experimentally validated that quercetin enhances cell viability under IgA stimulation,suppresses inflammatory cytokine secretion,and modulates target gene expression,providing valuable insights for investigating molecular mechanisms of IgAN therapy.
杨川琪;赵若莲;唐亚娟;刘子杰;李欢;张慧;柴琳
昆明市中医医院/云南中医药大学第三附属医院检验科,云南 昆明 650500昆明市中医医院/云南中医药大学第三附属医院检验科,云南 昆明 650500昆明市中医医院/云南中医药大学第三附属医院检验科,云南 昆明 650500昆明医科大学第一附属医院医学检验科,云南 昆明 650032昆明医科大学第一附属医院医学检验科,云南 昆明 650032昆明医科大学第一附属医院医学检验科,云南 昆明 650032昆明市中医医院/云南中医药大学第三附属医院检验科,云南 昆明 650500
医药卫生
IgA肾病数据挖掘网络药理学分子对接体外实验
IgA nephropathyData miningNetwork pharmacologyMolecular dockingIn vitro experiment
《昆明医科大学学报》 2026 (6)
44-55,12
云南省中医药基础研究联合专项基金(202501AZ070001-254)昆明市卫生科研课题(2025-11-01-025)昆明市卫生科技人才培养项目医学技术中心卫生科研课题(2023-SW-技术-015)
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