摘要
目的:通过网络药理学理论及分子对接探究黄芪治疗口腔鳞状细胞癌(Oral Squamous Cell Carcinoma,OSCC)的可能机制。方法:从中药系统药理学数据库与分析平台(TCMSP)下载黄芪的有效成分及对应靶点,并通过癌症基因组图谱获取OSCC的差异表达基因集,筛选出的共同靶点即为黄芪治疗OSCC的潜在靶点。利用STRING数据库获取潜在靶点的相互作用关系,用Cytoscape软件构建黄芪治疗OSCC的潜在靶点相互作用网络图,并获得关键靶点。通过注释可视化和集成发现数据库(DAVID)和KOBAS数据库分别对潜在靶点进行基因本体论功能和京都基因与基因组百科全书通路富集分析并构建“靶点-信号通路”网络图。借助Schrodinger软件对关键靶点及相应的黄芪有效成分进行分子对接。结果:黄芪可通过66个潜在靶点治疗OSCC,包括周期蛋白依赖激酶1(Cyclin Dependent Kinase 1,CDK1)、信号转导和转录活化因子1(Signal Transducer and Activator of Transcription 1,STAT1)、雄激素受体蛋白(Androgen Receptor,AR)、表皮生长因子受体(Epidermal Growth Factor Receptor,EGFR)和微囊蛋白1(Caveolin-1,CAV1)。黄芪治疗OSCC的潜在靶点富集最显著的是肿瘤坏死因子(Tumor Necrosis Factor,TNF)信号通路、细胞衰老和p53信号通路。关键靶点AR和黄芪相关有效成分均有良好的结合活性。结论:研究证明了黄芪治疗OSCC的多组分、多靶点和多通路特征,并为黄芪治疗OSCC的深入验证及黄芪在临床的合理应用提供科学依据。
Objective:To explore the possible mechanism of Huangqi(Radix Astragali)in treating oral squamous cell carcinoma(OSCC)based on network pharmacology and molecular docking.Methods:The active components of Huangqi and their corresponding targets were retrieved and downloaded from the TCMSP,and the differently expressed genes of OSCC were obtained from TCGA,the common targets from them were the potential therapeutic targets.The interaction of potential targets was obtained through the STRING database,the interaction network of potential targets was constructed by Cytoscape and the key targets were obtained.The gene ontology(GO)analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis of the potential targets were performed by DAVID and KOBAS,respectively,and target-signal pathway network diagram was constructed.The key targets of Huangqi and their corresponding effective components were docked by Schrodinger.Results:Huangqi treats OSCC with 66 potential targets,which included CDK1,STAT1,AR,EGFR,and CAV1.The mechanism of Huangqi in treating OSCC may be closely related to the TNF signal pathway,cell senescence,and p53 signal pathway.The key target AR and related active components of Huangqi had good binding activity.Conclusion:This study proves the multi-component,multi-target,and multi-pathway characteristics of Huangqi in the treatment of OSCC,and provides a scientific basis for the further experimental verification of Huangqi in the treatment of OSCC and the rational clinical application of Huangqi.
出处
《中医临床研究》
2023年第25期67-71,共5页
Clinical Journal Of Chinese Medicine
基金
广西科技基地和人才专项资助项目(2021AC18031)
南宁市青秀区科技计划资助项目(2021004)
广西医疗卫生适宜技术开发与推广应用资助项目(S2021085)。
