新中医2026，Vol.58Issue(7)：126-133,8.DOI:10.13457/j.cnki.jncm.2026.07.020
基于网络药理学与分子对接技术分析黄连温胆汤治疗阿尔茨海默病作用机制
Analysis of Mechanism of Huanglian Wendan Decoction in Treating Alzheimer's Disease Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To analyze the mechanism of Huanglian Wendan Decoction in treating Alzheimer's disease(AD)based on network pharmacology and molecular docking technology.Methods:Active ingredients and potential target genes of Huanglian Wendan Decoction were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),the Traditional Chinese Medicine Integrated Pharmacology Research Platform v2.0(TCMIP v2.0),and UniProt.The AD-related disease targets were retrieved from GeneCards and MalaCards databases.A Venn diagram was used to identify intersecting targets.The STRING database was employed to construct a protein-protein interaction(PPI)network,and Cytoscape 3.10.3 software was used for topological analysis to screen key targets.Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed on these targets.Finally,molecular docking validation of key active ingredients and potential targets was conducted using AutoDock Vina software.Results:A total of 137 active ingredients and 228 corresponding targets of Huanglian Wendan Decoction were screened.There were 2 239 AD-related targets,with 136 intersecting targets identified.The main active components included quercetin,naringenin,and nobiletin.The PPI network analysis screened out core targets such as tumor protein p53(TP53),AKT serine/threonine kinase 1(AKT1),signal transducer and activator of transcription 3(STAT3),interleukin-6(IL-6),and tumor necrosis factor(TNF).The GO functional enrichment analysis yielded 2 010 results,primarily involving biological processes such as response to lipopolysaccharide and response to molecule of bacterial origin.The KEGG pathway enrichment analysis identified 197 signaling pathways,mainly including lipid and atherosclerosis,advanced glycation end products and their receptors(AGE-RAGE),phosphatidylinositol 3-kinase(PI3K)-AKT,and TNF signaling pathways.The molecular docking binding energies between key active components and potential targets were all less than-5.0 kcal/mol.Conclusion:Network pharmacology and molecular docking analysis indicate that Huanglian Wendan Decoction may exert its therapeutic effects by acting on key targets such as PTGS2,ESR1,and AR through components like quercetin,naringenin,and nobiletin.It regulates signaling pathways including lipid and atherosclerosis,AGE-RAGE,PI3K-AKT,and TNF,thereby exerting anti-inflammatory and antioxidant stress effects,regulating apoptosis and autophagy,and providing neuroprotection,which collectively improve the pathological progression of AD.关键词
阿尔茨海默病/黄连温胆汤/网络药理学/分子对接/作用机制Key words
Alzheimer's disease/Huanglian Wendan Decoction/Network pharmacology/Molecular docking/Mechanism of action分类
医药卫生引用本文复制引用
黄婷,林琳..基于网络药理学与分子对接技术分析黄连温胆汤治疗阿尔茨海默病作用机制[J].新中医,2026,58(7):126-133,8.基金项目
国家重点研发计划重点专项(2023YFE0108400) （2023YFE0108400）
成都医学院校级科研项目(CYZYB21-27) （CYZYB21-27）
