基于网络药理学探讨消瘿散结方治疗甲状腺结节的作用机制  

Mechanisms of XiaoYing SanJie Fang against Thyroid Nodules Based on Network Pharmacology

作　　者：侯宇佳 杜雨轩 王霞 朱世杰[1] 夏玉清[1] 芦殿荣[1] HOU Yu-jia;DU Yu-xuan;WANG Xia;ZHU Shi-jie;XIA Yu-qing;LU Dian-rong(Wangjing Hospital,China Academy of Chinese Medical Sciences,Beijing 100102,China;Health Division of Guard Bureau,General Advisor Ministry,PLA,Beijing 100017,China)

机构地区：[1]中国中医科学院望京医院,北京100102 [2]联合参谋部警卫局卫生保健处,北京100017

出　　处：《解放军药学学报》2023年第6期524-529,共6页Pharmaceutical Journal of Chinese People's Liberation Army

基　　金：国家自然科学基金项目,No.81973640;中国中医科学院望京医院苗圃计划院级课题,No.WJYY-YJKT-2022-05;北京中医药薪火传承“3+3”工程建设项目,京中医科字202173号。

摘　　要：目的通过现代网络药理学方法探析消瘿散结方治疗甲状腺结节的作用机制。方法通过TCMSP、TCMID、TCM Database@Taiwan及symMap数据库检索消瘿散结方的主要有效成分,利用pubchem数据库查找其化合物与分子结构,在Swiss Target Prediction数据库检索其作用靶点,通过GeneCards和DisGeNet数据库检索甲状腺结节疾病相关基因,直接对药物靶位基因和相关疾病基因序列进行韦恩分析,利用Cytoscape软件实现可视化并分析筛选出核心基因组,最后在DAVID数据库中进行富集分析,对复方药物潜在的治疗作用靶点可进行GO功能分析和KEGG通路分析。结果检索到复方药物组合的主要有效化合物199个、作用靶点342个;符合条件的甲状腺结节疾病基因1218个,其中108个是消瘿散结方治疗甲状腺结节的潜在作用靶点。通过GO功能和KEGG通路分析发现消瘿散结方治疗甲状腺结节是通过PI3K-Akt、Rap1、EGFR、MAPK及HIF-1等信号通路发挥作用。消瘿散结方治疗甲状腺结节的重要基因为AKT1、VEGFA、TNF、SRC及EGFR等。结论通过现代网络药理学方法发现消瘿散结方药对组合治疗甲状腺结节的药物作用机制涉及多靶点与通路,可能与细胞增殖、凋亡与黏附、血管生长因子、炎性因子及糖代谢与癌症因子等相关。Objective To investigate the mechanism through which Xiaoying Sanjie Fang works against thyroid nodules using modern network pharmacology methods.Methods TCMSP,TCMID,TCM Database@Taiwan and symMap databases were searched for the main active ingredients of Xiaoying Sanjie Fang,PubChem for the compounds and molecular structures,Swiss Target Prediction database for its targets,and GeneCards and DisGeNet database for the genes related to thyroid nodules.Venn analysis was conducted of drug target genes and related disease gene sequences.Cytoscape software was used to visualize and screen out the core genome.Enrichment analysis was performed in DAVID database.GO functional analysis and KEGG pathway analysis were performed of the potential therapeutic targets of the compound drug.Results A total of 199 main effective compounds and 342 action targets were retrieved for compound drug combinations and 1218 eligible thyroid nodule disease genes were identified,108 of which were potential targets of action for the treatment of thyroid nodules with Xiaoying Sanjie Fang.GO function and KEGG pathway analysis revealed that PI3K-Akt,Rap1,EGFR,MAPK and HIF-1 signaling pathways were involved.The important genes for the treatment of thyroid nodules were AKT1,VEGFA,TNF,SRC and EGFR.Conclusion Modern network pharmacological methods have revealed that the mechanism by which Xiaoying Sanjie Fang is effective for thyroid nodules involves multiple targets and pathways,which may be related to cell proliferation,apoptosis and adhesion,vascular growth factors,inflammatory factors and glucose metabolism.

关 键 词：消瘿散结方 甲状腺结节 网络药理学 

分 类 号：R969[医药卫生—药理学]