首页|基于网络药理学及分子对接探讨崖爬藤属植物治疗类风湿性关节炎作用

基于网络药理学及分子对接探讨崖爬藤属植物治疗类风湿性关节炎作用

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目的 基于网络药理学及分子对接探讨崖爬藤属植物治疗类风湿性关节炎(Rheumatoid arthritis)的潜在作用机制.方法 将崖爬藤属植物化学成分进行整理,通过TCMSP数据库筛选崖爬藤属植物的有效活性成分及作用靶点,结合GeneCards、DisGeNET数据库检索类风湿性关节炎疾病相关靶点,构建崖爬藤属植物"成分-靶点-疾病"网络,通过PPI网络删选出关键靶点,采用DAVID数据库进行GO和KEGG富集分析,最后用AutoDock 4.2.6 软件将崖爬藤属主要活性成分与核心靶点进行分子对接验证.结果 初步筛选槲皮素、山奈酚、木犀草素、川陈皮素、异鼠李素5 个主要活性成分;通过PPI网络拓扑分析获得10 个核心靶点;对上述靶点进行富集分析,发现崖爬藤属植物治疗RA的主要通路有乙型肝炎通路、癌症通路、卡波西肉瘤相关疱疹病毒感染等信号通路.分子对接结果显示主要活性成分与核心靶点之间具有一定的结合活性.结论 说明崖爬藤属植物通过多成分、多靶点、多通路从而发挥治疗类风湿性关节炎的作用.
Therapeutic Effect of Tetrastigma Plants on Rheumatoid Arthritis was An-alyzed Based on Network Pharmacology and Molecular Docking
OBJECTIVE Based on network pharmacology and molecular docking,to explore the potential mech-anism of Paederia plants in the treatment of rheumatoid arthritis(RA).METHODS The chemical constituents of the plants of the Tetrastigma were sorted out,and the effective active ingredients and targets of the plants of the Tet-rastigma were screened through the TCMSP database.Combined with the GeneCards and DisGeNET databases,the targets related to rheumatoid arthritis were searched,and the'component-target-disease'network of the plants of the Tetrastigma was constructed.The key targets were deleted through the PPI network,and the GO and KEGG enrich-ment analysis was performed using the DAVID database.Finally,the main active ingredients of the Tetrastigma were verified by molecular docking with the core targets using AutoDock 4.2.6 software.RESULTS Five main active components of quercetin,kaempferol,luteolin,nobiletin and isorhamnetin were preliminarily screened.Ten core tar-gets were obtained by PPI network topology analysis.Enrichment analysis of the above targets showed that the main pathways for the treatment of RA were hepatitis B pathway,cancer pathway,Kaposi's sarcoma-associated herpesvirus infection and other signaling pathways.The results of molecular docking showed that there was a certain binding ac-tivity between the main active components and the core targets.CONCLUSION The results show that the plants of Tetrastigma play a role in the treatment of rheumatoid arthritis through multi-component,multi-target and multi-pathway.

TetrastigmaChemical constituentsNetwork pharmacologyRheumatoid arthritis

陈艳柠、陈懿冲、杨成梓

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福建中医药大学药学院,福建福州 350122

福建省级中药原料质量监测技术服务中心,福建福州 350122

崖爬藤属 化学成分 网络药理学 类风湿性关节炎

中医药公共卫生服务补助专项全国中药资源普查项目(2019)

财社[19]39号

2024

海峡药学
中国药学会福建分会

海峡药学

影响因子:0.643
ISSN:1006-3765
年,卷(期):2024.36(2)
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