摘要
本文采用生物信息学以及网络药理学分析六君子汤在治疗结直肠腺瘤(colorectal adenomas,CRA)中的分子机制。通过中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)收集六君子汤的有效成分及其相关靶点,利用GEO数据库和OMIM、GeneCards等疾病数据库筛选CRA相关靶点,将六君子汤与CRA的交集靶点信息上传至STRING并通过Cytoscape3.7.2可视化PPI网络。使用Metascape数据库进行KEGG与GO通路富集分析并预测六君子汤治疗CRA的相关通路,绘制“中药-成分-疾病靶点-通路”网络。利用Autodock进行分子对接,通过TIMER 2.0对核心靶点进行结肠腺癌免疫细胞浸润分析与差异性表达分析。结果显示,六君子汤中的主要成分槲皮素、山奈酚、β-谷甾醇以及刺芒柄花素等可通过多靶点、多通路改善CRA症状,关键靶点为ESR1、TP53、GSK3B以及PTGS2等,相关的信号通路为癌症相关通路、Wnt信号通路以及Hippo信号通路等。六君子汤可通过多靶点、多通路改善CRA症状,其关键成分槲皮素、山奈酚、β-谷甾醇以及刺芒柄花素等可能通过ESR1、AKT1、TP53、GSK3B以及PTGS2等靶点作用于Wnt信号通路、Hippo信号通路等通路发挥治疗CRA的作用。
Bioinformatics and network pharmacology were used to analyze the molecular mechanism of Liujunzitang against colorectal adenomas(CRA).The active ingredients and their related targets of Liujunzitang were collected through the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform(TCMSP),and the CRA-related targets were screened using the GEO database and disease databases,such as OMIM and GeneCards,etc.The intersecting target information of Liujunzitang and CRA was uploaded to STRING and visualized through the Cytoscape 3.7.2 PPI network.Metascape database was used to analyze the KEGG and GO pathway enrichment and to predict the pathways related to the effects of Liujunzitang on CRA,and to draw the network of“Traditional Chinese Medicine-Ingredient-Disease-Target-Pathway”.Autodock was used for molecular docking and TIMER 2.0 was used to analyze the core targets for colon adenocarcinoma immune cell infiltration and differential expression.Quercetin,kaempferol,β-sitosterol,and formononetin,which are the main components of Liujunzitang,can improve the symptoms of CRA through multi-targets and multi-pathways,with the key targets being ESR1,TP53,GSK3B,and PTGS2,etc.,and the relevant signaling pathways being the cancer-related pathway,the Wnt signaling pathway,and the Hippo signaling pathway.Liujunzitang can improve CRA symptoms through multi-targets and multipathways,and its key components,quercetin,kaempferol,β-sitosterol,and formononetin,may exert their therapeutic effects on CRA by acting on the Wnt signaling pathway,Hippo signaling pathway,and other pathways through the targets of ESR1,AKT1,TP53,GSK3B,and PTGS2.
作者
赖霭琳
缪涛声
李逸婷
郑鸿铭
胡芝凡
莫乔兰
邱泽鑫
李佳
陈斌
LAI Ailin;MIAO Taosheng;LI Yiting;ZHENG Hongming;HU Zhifan;MO Qiaolan;QIU Zexin;LI Jia;CHEN Bin(First Clinical Medical College,Guangzhou University of Chinese Medicine,Guangzhou 510000,China;Department of Gastroenterology,The First Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou 510000,China)
出处
《生命的化学》
CAS
2024年第11期2138-2151,共14页
Chemistry of Life
基金
国家自然科学基金项目(82074197)
广东省重点科研平台项目(2022ZDZX2012)。
