中国中医药图书情报杂志2025，Vol.49Issue(5)：64-70,7.DOI:10.3969/j.issn.2095-5707.202409078
基于网络药理学和分子对接探讨芩藿方治疗肥胖症作用机制
Exploration on the Mechanism of Qinhuo Prescription in the Treatment of Obesity Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To discuss the potential mechanism of Qinhuo Prescription in the treatment of obesity based on network pharmacology and molecular docking technology.Methods TCMSP platform was used to screen the active components and related targets of Qinhuo Prescription.The targets related to obesity were retrieved using GeneCards,TTD and OMIM databases.The drug-disease intersection targets were obtained through the Venny 2.1 online platform.Protein-protein interaction(PPI)network construction,GO functional analysis,KEGG pathway enrichment analysis and"active component-target-pathway"network topology analysis of the intersected targets were performed by Cytoscape 3.9.1 software.AutoDock Tools 1.5.6 software was used to perform molecular docking validation between the main active components and the core targets.Results The study identified 78 potential active components and 465 targets of Qinhuo Prescription,along with 684 disease-related targets.There were 131 intersection targets of drug-disease.Gene Ontology(GO)enrichment analysis of the targets yielded 307 entries,including 113 biological processes,63 cellular components,and 131 molecular functions;KEGG pathway enrichment revealed 132 signaling pathways.Network topology analysis of the component-target-pathway suggested that key active components in Qinhuo Prescription for treating obesity may include(2R)-7-hydroxy-5-methoxy-2-phenylchromen-4-one,5-hydroxy-7,4'-dimethoxyflavone,kaempferol,luteolin and baicalein.Critical target proteins involved AKT1,CYP19A1,ESR1 and PTGS2.Molecular docking results demonstrated strong binding affinity between the key components and the core target proteins.Conclusion Active components such as(2R)-7-hydroxy-5-methoxy-2-phenylchromen-4-one,5-hydroxy-7,4'-dimethoxyflavone,kaempferol,luteolin and baicalein in Qinhuo Prescription can act on targets,such as AKT1,CYP19A1,ESR1,PTGS2,and exert therapeutic effects on obesity by regulating insulin resistance and PI3K-Akt,HIF-1 signaling pathway.关键词
网络药理学/分子对接/芩藿方/肥胖症/作用机制Key words
network pharmacology/molecular docking/Qinhuo Prescription/obesity/mechanism分类
医药卫生引用本文复制引用
雷耀华,赵丹婷,李欣祝,刘杉,庄馨瑛..基于网络药理学和分子对接探讨芩藿方治疗肥胖症作用机制[J].中国中医药图书情报杂志,2025,49(5):64-70,7.基金项目
云南省科技厅-云南中医学院应用基础研究联合专项基金(202301AZ070001-057) （202301AZ070001-057）
云南省南药可持续利用研究重点实验室科技人才和平台计划项目(202105AG070012) （202105AG070012）
