摘要
目的基于网络药理学及分子对接探讨四妙丸治疗高尿酸血症的作用机制。方法利用TCMSP、SEA、Swiss和PharmMapper数据库预测四妙丸活性成分的作用靶点,运用GeneCards和TCD数据库检索与高尿酸血症相关的疾病靶点。使用Cytoscape 3.6.1构建蛋白质相互作用网络图,通过STRING平台对四妙丸治疗高尿酸血症的靶点进行GO富集分析和KEGG通路分析。利用SwissDock平台进行分子对接,预测主要化合物与关键靶点的结合度。结果本研究共筛选出四妙丸中的28种活性成分及429个潜在靶点,与高尿酸血症相关的疾病靶点有494个,得到四妙丸与高尿酸血症的共同靶点有118个,并筛选出其中几个关键靶点AKT1、IL-6、JUN、TNF和CASP3进行分子对接,对接结果显示AKT1、IL-6、JUN、TNF和CASP3与小檗红碱、表小檗碱、豆甾醇、谷甾醇等具有良好的结合活性。预测AKT1、IL-6、JUN、TNF和CASP3可能是四妙丸治疗高尿酸血症的关键靶点。KEGG通路富集分析结果显示四妙丸可能通过TNF信号通路、IL-17信号通路、细胞凋亡信号通路等多条信号通路治疗高尿酸血症。结论四妙丸是通过多组分、多靶点和多途径协同治疗高尿酸血症,为后续进一步研究四妙丸的活性成分及作用机制提供了依据。
Objective To explore the mechanism of Simiao pills for treatment of hyperuricemia based on network pharmacology and molecular docking.Methods The active ingredients of Simiao pills and their targets of action were predicted using TCMSP,SEA,Swiss and PharmMapper databases.GeneCards and TCD databases were searched for the disease targets related to hyperuricemia.Cytoscape 3.6.1 was used to construct a protein-protein interaction network.GO enrichment analysis and KEGG pathway analysis were carried out on the STRING platform.The binding between the main compounds and the key targets were predicted using the SwissDock platform for molecular docking.Results We identified 28 active ingredients and 429 potential targets in Simiao pills,494 disease targets related to hyperuricemia,and 118 common targets between Simiao pills and hyperuricemia.Several key targets including AKT1,IL-6,JUN,TNF and CASP3 were screened for molecular docking,which had good binding activities with berberrubine,epiberberine,stigmasterol and sitosterol.AKT1,IL-6,JUN,TNF and CASP3 were predicted to be the key targets for Simiao pills for treating hyperuricemia.KEGG pathway enrichment analysis showed that Simiao pills produced therapeutic effects on hyperuricemia through multiple signaling pathways including the TNF signaling pathway,apoptosis signaling pathway and IL-17 signaling pathway.Conclusion Simiao pills produces therapeutic effects on hyperuricemia through multiple components and targets and the synergy of several pathways.Our finding provides a theoretical basis for further study of the active ingredients and therapeutic mechanism of Simiao pills for treating hyperuricemia.
作者
曾丽莹
邓伊健
陈洁瑜
孙晓敏
刘艳艳
聂晓莉
周琳
赵晓山
戴娇娇
ZENG Liying;DENG Yijian;CHEN Jieyu;SUN Xiaomin;LIU Yanyan;NIE Xiaoli;ZHOU Lin;ZHAO Xiaoshan;DAI Jiaojiao(School of Chinese Medicine,Southern Medical University,Guangzhou 510515,China;Department of Endocrinology and Metabolism,Nanfang Hospital,Southern Medical University,Guangzhou 510515,China)
出处
《南方医科大学学报》
CAS
CSCD
北大核心
2021年第4期579-587,共9页
Journal of Southern Medical University
基金
国家自然科学基金重点项目(81830117)
国家自然科学基金(81774212)
广东省自然科学基金(2017A030313722,2018A030313375,2019A1515010400)
广州市民生科技攻关专题(201903010069)。
关键词
四妙丸
高尿酸血症
网络药理学
分子对接
Simiao pills
hyperuricemia
network pharmacology
molecular docking
