中国药业2025，Vol.34Issue(19)：42-49,8.DOI:10.3969/j.issn.1006-4931.2025.19.009
艾愈胶囊治疗非小细胞肺癌作用机制的生物信息学与网络药理学研究
Mechanism of Aiyu Capsules in the Treatment of Non-Small Cell Lung Cancer Based on Bioinformatics and Network Pharmacology
摘要
Abstract
Objective To investigate the mechanism of Aiyu Capsules in the treatment of non-small cell lung cancer(NSCLC)based on bioinformatics and network pharmacology.Methods TCMSP and Swiss Target Prediction databases were used to screen the active components and targets of Aiyu Capsules.Gene Expression Omnibus(GEO)database was used to obtain differentially expressed genes(DEGs)in NSCLC.NSCLC-related targets were obtained from DrugBank,GeneCards,OMIM,and TTD databases.String database and Cytoscape 3.7.1 software were used to construct protein-protein interaction(PPI)network.Gene Ontology(GO)functional analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed through the DVAID database and Omicshare cloud analytics platform,in order to construct Chinese herb-component-target network and key component-core target-signal pathway network.The molecular docking validation was performed by the Autodock 1.5.6 software.Results A total of 81 active components and 846 targets in Aiyu Capsules,18 306 NSCLC targets and 795 drug-disease targets were identified.The PPI network identified 21 core targets,mainly including epidermal growth factor receptor(EGFR),phosphatidylinositol 4,5-diphospho-3-kinase catalytic subunit α(PIK3CA),serine threonine protein kinase 1(Akt1),etc.Based on the degree values(≥101)in the Chinese herb-component-target network,10 active components were selected as key components,including deoxyharringtonine,8-isopentenyl-kaempferol,and luteolin.GO functional analysis and KEGG pathway enrichment analysis results showed that 11 769 GO functional analysis results and 324 signaling pathways were involved,mainly including the calcium signaling pathway,phosphatidylinositol 3-kinase/Akt(PI3K/Akt)signaling pathway,etc.The molecular docking results showed that the binding energies between the key components and the core targets were all lower than-2.9 kcal/mol.Conclusion Aiyu Capsules may act on multiple targets such as EGFR,PIK3CA,and Akt1 through various active components such as 8-isopentenyl-kaempferol,luteolin and deoxyharringtonine,and exert therapeutic effects on NSCLC through the PI3K/Akt signaling pathway.关键词
艾愈胶囊/非小细胞肺癌/生物信息学/网络药理学/分子对接/作用机制Key words
Aiyu Capsules/non-small cell lung cancer/bioinformatics/network pharmacology/molecular docking/mechanism分类
医药卫生引用本文复制引用
向星,张喆,罗春梅,楚明明,张蓉..艾愈胶囊治疗非小细胞肺癌作用机制的生物信息学与网络药理学研究[J].中国药业,2025,34(19):42-49,8.基金项目
重庆市研究生科研创新项目[CYS240826] （）
重庆市临床药学重点专科建设项目[渝卫办发[2023]2号] （）
重庆市科学技术局技术预见与制度创新项目[CSTB2023TFII-OIX0054]. （）
