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
- 上海中医药杂志 2021年55卷第4期 页码：6-14
- 作者机构：
1.上海中医药大学附属曙光医院内分泌科（上海 201203）
- 作者简介：
许嘉慧，女，硕士研究生，主要从事糖尿病、甲状腺疾病的中医药临床与实验研究工作
陆灏，主任医师，博士研究生导师；E-mail：luhao403@163.com
- 基金信息：国家自然科学基金项目(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)
DOI：10.16305/j.1007-1334.2021.2001169
中图分类号：
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许嘉慧, 陈清光, 章丽琼, 等. 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[J]. 上海中医药杂志, 2021,55(4):6-14.
Jiahui XU, Qingguang CHEN, Liqiong ZHANG, et al. Mechanism analysis of Astragali Radix in treatment of Hashimoto’s thyroiditis based on network pharmacology and Molecular Docking Method[J]. Shanghai Journal of Traditional Chinese Medicine, 2021,55(4):6-14.
许嘉慧, 陈清光, 章丽琼, 等. 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[J]. 上海中医药杂志, 2021,55(4):6-14. DOI： 10.16305/j.1007-1334.2021.2001169.
Jiahui XU, Qingguang CHEN, Liqiong ZHANG, et al. Mechanism analysis of Astragali Radix in treatment of Hashimoto’s thyroiditis based on network pharmacology and Molecular Docking Method[J]. Shanghai Journal of Traditional Chinese Medicine, 2021,55(4):6-14. DOI： 10.16305/j.1007-1334.2021.2001169.
摘要
目的,2,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,2,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,2,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-17信号通路等对HT发挥治疗作用。,结论,2,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。
Abstract
Objective,2,To explore the mechanism of Astragali Radix in the treatment of Hashimoto’s thyroiditis(HT)based on network pharmacology and molecular docking.,Methods,2,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,2,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-17 signaling pathway in the complications of diabetes.,Conclusion,2,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
Keywords
Astragali RadixHashimoto’s thyroiditisnetwork pharmacologymolecular docking
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