基于网络药理学探讨清热散结化痰方治疗亚急性甲状腺炎的分子机制  

The molecular mechanism of Qingre Sanjie Huatan Formula in the treatment of subacute thyroiditis based on network pharmacology

作　　者：赵玉军 姜敏[2] ZHAO Yujun;JIANG Min(Hepatobiliary Pancreatic Hernia Surgery(Department of General Surgery),The Affiliated Guangdong Second ProvincialGeneral Hospital of Jinan University,Guangzhou,Guangdong 510317,China;Department of Thyroid and Breast Surgery,The Affiliated Guangdong Second Provincial General Hospital of Jinan University,Guangzhou,Guangdong 510317,China)

机构地区：[1]暨南大学附属广东省第二人民医院肝胆胰疝外科<普外二科>,广东广州510317 [2]暨南大学附属广东省第二人民医院甲状腺乳腺外科,广东广州510317

出　　处：《医药前沿》2024年第27期5-10,共6页Journal of Frontiers of Medicine

基　　金：广东省中医药局科研项目(20222004);广州市科技计划项目(2024A03J0855)。

摘　　要：目的:基于网络药理学研究清热散结化痰方治疗亚急性甲状腺炎(SAT)的分子机制。方法:采用TCMSP、HIT 2.0数据库获取清热散结化痰方各中药的主要化学成分并筛选其活性成分,通过GeneCards、DisGeNET、OMIM数据库获取SAT主要治疗靶点,采用String蛋白互作平台进行蛋白质间相互作用分析。采用Cytoscape 3.7.2软件构建“清热散结化痰方活性成分-SAT靶点-通路”网络,在微生信平台进行基因本体(GO)和京都基因与基因组百科全书(KECG)通路富集分析,通过分子对接验证有效成分与靶蛋白结合。结果:清热散结化痰方治疗SAT的有效活性成分为槲皮素、木犀草素、山柰酚等,核心靶点有丝氨酸/苏氨酸激酶1、表皮生长因子受体、非受体酪氨酸激酶、信号转导子和转录激活子3、雌激素受体1、基质金属肽酶9等。清热散结化痰方治疗SAT的生物通路主要有氮代谢、类固醇激素生物合成、EGFR酪氨酸激酶抑制剂耐药性、化学致癌-活性氧、卵巢类固醇生成、癌症中的蛋白聚糖等。结论:本研究初步揭示了清热散结化痰方通过多成分、多靶点、多通路治疗SAT的分子作用机制,为清热散结化痰方治疗SAT提供了理论依据。Objective To study the molecular mechanism of Qingre Sanjie Huatan Formula in the treatment of subacute thyroiditis based on network pharmacology.Methods The main chemical components of various traditional Chinese medicines in Qingre Sanjie Huatan Formula were obtained through TCMSP and HIT 2.0 databases,and their active ingredients were screened.The main therapeutic targets for subacute thyroiditis were obtained through GeneCards,DisGeNET and OMIM databases,and protein�protein interaction analysis was performed using the String protein interaction platform.The"Qingresanjie Huatan Prescription active ingredient-SAT target-pathway"network was constructed by Cytoscape 3.7.2 software.The Gene Ontolog(GO)and Kyoto Encyclopedia of Genes and Genomes(KECG)pathway enrichment analysis were conducted on the Weishengxin platform,and the binding of active ingredient and target protein was verified by molecular docking.Results The effective active ingredients of the Qingre Sanjie Huatan Formula in treating subacute thyroiditis were quercetin,luteolin,kaempferol,etc.The core targets included serine/threonine kinase 1,epidermal growth factor receptor,non receptor tyrosine kinase,signal transducer and transcriptional activator 3,estrogen receptor 1,matrix metallopeptidase 9,etc.The biological pathways of the Qingre Sanjie Huatan Formula in treating subacute thyroiditis mainly include nitrogen metabolism,steroid hormone biosynthesis,resistance to EGFR tyrosine kinase inhibitors,chemical carcinogenic reactive oxdygen species,ovarian steroid production,proteoglycans in cancer,etc.Conclusions This study preliminarily revealed the molecular mechanism of the Qingre Sanjie Huatan Formula in treating subacute thyroiditis through multiple components,targets,and pathways,providing modern medical evidence for the application of Qingre Sanjie Huatan Formula in clinical treatment of subacute thyroiditis.

关 键 词：亚急性甲状腺炎 清热散结化痰方 网络药理学 分子机制 

分 类 号：R581[医药卫生—内分泌]