基于网络药理学和分子对接法探讨黄芪治疗桥本甲状腺炎的机制  

Mechanism analysis of Astragali Radix in treatment of Hashimoto’s thyroiditis based on network pharmacology and Molecular Docking Method

作　　者：许嘉慧 陈清光[1] 章丽琼[1] 韩煦 刘亚华 金燊懿 蔡梦洁 刘瑜颖 陆灏[1] XU Jiahui;CHEN Qingguang;ZHANG Liqiong;HAN Xu;LIU Yahua;JIN Shenyi;CAI Mengjie;LIU Yuying;LU Hao(Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine,Shanghai 201203,China)

机构地区：[1]上海中医药大学附属曙光医院内分泌科,上海201203

出　　处：《上海中医药杂志》2021年第4期6-14,共9页Shanghai Journal of Traditional Chinese Medicine

基　　金：国家自然科学基金资助项目(81503552,81874434);上海市临床重点专科项目(shslczdzk05401);上海市科委科研计划项目(17401970100,14401930600);上海市中医专科联盟建设项目(ZY[2018-2020]-FWTX-4011);上海市中医临床重点实验室项目(14DZ2273200)。

摘　　要：目的基于网络药理学和分子对接相关技术探讨黄芪治疗桥本甲状腺炎(HT)的作用机制。方法借助中药系统药理学数据库及分析平台(TCMSP)筛选黄芪的成分及作用靶点,使用OMIM和GeneCards数据库筛选HT靶点;采用Cytoscape软件构建化学成分-潜在靶点网络图和蛋白相互作用网络图,进而筛选出关键靶点,借助DAVID数据库对靶点进行GO分析和KEGG通路分析;使用Autodock vina进行分子对接,初步筛选并进一步验证黄芪中的核心化学成分。结果从黄芪中共筛选出11个成分,主要属于黄酮类和皂苷类;筛选出与HT相关的作用靶点58个;黄芪可能通过调节AGE-RAGE信号通路、TNF信号通路、IL^(-1)7信号通路等对HT发挥治疗作用。结论本研究采用网络药理学分析了黄芪治疗HT的潜在作用机制,其核心成分可能为熊竹素、槲皮素和常春藤皂苷元。Objective To explore the mechanism of Astragali Radix in the treatment of Hashimoto’s thyroiditis(HT)based on network pharmacology and molecular docking. Methods Traditional Chinese medicine system pharmacology database and analysis platform(TCMSP) was used to obtain the chemical components and corresponding targets. The OMIM and GeneCards databases were used to predict and screen disease targets. Cytoscape software was used to construct the component-target network diagram and the protein interaction network diagram for screening out key targets. GO enrichment analysis and KEGG pathway were analyzed by DAVID platform. Finally, autodock vina software was used to verify the core chemical compositions screened in Astragali Radix. Results A total of 11 ingredients were screened out from Astragali Radix that mainly belong to flavonoids and saponins. 58 targets were obtained for interaction between Astragali Radix and HT. Astragali Radix plays a role in the treatment of HT by regulating AGE-RAGE signaling pathway, TNF signaling pathway, and IL^(^(^(^(-1))))7 signaling pathway in the complications of diabetes. Conclusion Our study preliminarily analyzed potential mechanism of Astragali Radix in the treatment of HT. The core ingredients may be jaranol, quercetin and hederagenin.

关 键 词：黄芪 桥本甲状腺炎 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]