摘要
目的:基于网络药理学及分子对接探究黄连治疗关节炎的作用机制。方法:对TCMSP数据库黄连化学成分及相关作用靶点进行检索,Uniprot数据库对靶点进行归一化及标准化处理;通过GeneCards,OMIM以及其他数据库对类风湿关节炎、骨关节炎以及痛风性关节炎疾病靶点进行检索;采用Venny网站获取黄连和3种关节炎的交集靶点;运用STRING数据库对交集靶点进行蛋白质-蛋白质相互作用(protein-protein interaction,PPI)网络分析,用Cytoscape软件构建PPI网络;将共同交集靶点导入DAVID数据库和Metascape数据库进行生物信息学分析,得出黄连治疗关节炎过程中相关作用通路;将3类关节炎对应的化学成分、共有靶点和通路导入Cytoscape软件,构建“化学成分-疾病-靶点-通路”的网络拓扑结构图。结果:共筛选出黄连化学成分14种及关节炎潜在作用靶点176个,筛选出调控3种关节炎的相关靶点分别为5704,4098,738个,交集靶点共29个;KEGG分析结果显示黄连治疗关节炎与癌症的发病途径通路、糖尿病并发症的AGE-RAGE信号通路、Hepatitis B作用通路等有关。结论:黄连中黄连素、巴马汀、黄连碱、氧化小檗碱等核心成分可能通过调控白细胞介素-17(interleukin-17,IL-17)信号通路、肿瘤坏死因子(tumor necrosis factor,TNF)信号通路等改善炎症,发挥抗关节炎的作用。
Objective:To explore the mechanism of Coptidis Rhizoma(CR)in the treatment of arthritis based on network pharmacology and molecular docking.Methods:The chemical constituents and related targets of CR in TCMSP database were searched,and the targets were normalized and standardized by Uniprot database.The targets of rheumatoid arthritis,osteoarthritis and gouty arthritis were searched in GeneCards,OMIM and other databases.Venny website was used to obtain the intersection targets of CR and three kinds of arthritis,the STRING database was used to construct the protein-protein interaction(PPI)network of the intersection targets,and the PPI network was constructed by Cytoscape software.The common intersection targets were imported into DAVID database and Metascape database for bioinformatics analysis,and the related pathways in the treatment of arthritis were obtained.The chemical components,common targets and pathways corresponding to the three types of arthritis were imported into Cytoscape software to construct a network topology diagram of“chemical composition-disease-target-pathway”.Results:A total of 14 chemical constituents in CR and 176 potential targets of arthritis were screened out.The related targets of regulating three kinds of arthritis were 5704,4098 and 738 respectively,and a total of 29 intersection targets were screened out.KEGG results showed that the treatment of arthritis with CR was related to pathways in cancer,AGE-RAGE signaling pathway in diabetic complications,Hepatitis B and other pathways.Conclusion:Berberine,palmatine,coptisine,berlambine,and other core components in CR may play an anti-arthritic role by regulating interleukin-17 signaling pathway and tumor necrosis factor signaling pathway to improve inflammation.
作者
李梦园
郭金玲
姚静雯
田飞
姜苗苗
赵静
LI Meng-yuan;GUO Jin-ling;YAO Jing-wen;TIAN Fei;JIANG Miao-miao;ZHAO Jing(Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China)
出处
《中国新药杂志》
CAS
CSCD
北大核心
2024年第16期1699-1707,共9页
Chinese Journal of New Drugs
基金
国家自然科学基金资助项目(81973699,82274361)。
关键词
黄连
关节炎
网络药理学
分子对接
黄连素
Coptidis Rhizoma
arthritis
network pharmacology
molecular docking
berberine
