艾叶挥发性成分对膝骨关节病作用机制的网络药理学探讨

Network Pharmacology of Volatile Components of Artemisia Argyi on Knee Osteoarthropathy

目的:基于网络药理学方法探讨艾叶挥发性成分对膝骨关节病的作用机制。方法:基于中药系统药理学数据库与分析平台(TCMSP)、DrugBank、TTD数据库分别建立艾叶挥发性成分-靶点网络和疾病靶点网络,基于Cytoscape 3.7.0软件建立艾叶挥发性成分-作用靶点网络并进行网络拓扑属性分析;利用DAVID数据库对核心作用靶点进行基因本体(GO)功能富集分析和基因组百科全书(KEGG)通路富集分析。结果:构建的有效成分-作用靶点网络有40个有效成分、265个靶点。靶点互做分析得到的核心靶点生物功能注释分析,得到的核心BP过程包括类固醇代谢、胆汁酸和胆盐运输、氧化还原等;CC过程包括突触后膜、原生质膜组成、等离子体膜等;MF过程包括血红素结合、细胞外配体门控离子通道活性、类固醇羟化酶活性等。通路富集得到的核心KEGG通路包括神经配体受体交互作用通路、甾类激素生物合成、胆汁分泌等。网络分析得到重要的活性成分有龙脑、杜松樟脑、异泽兰黄素等。结论:艾叶挥发性成分对膝骨关节病的作用可能是基于调控神经配体受体交互作用通路、神经信号负传导Toll样受体信号等通路调理膝骨关节病。

Objective:The aim of this study was to investigate the mechanism of volatile components of artemisia argyi on knee arthropathy based on network pharmacology.Methods:The volatile component-target network and the disease target network of artemisia argyi were established respectively based on TCMSP,DrugBank and TTD databases.Core targets were enriched by DAVID database for gene ontology(GO)function and genome encyclopedia(KEGG)pathway.Results:The active component-action target network consisted of 40 active components and 265 targets.The annotation analysis of the biological function of the core target obtained by the analysis of the target interaction,the core BP process obtained included steroid metabolism,bile acid and bile salt transport,REDOX,inflammatory response,steroid hormone-mediated signaling pathway,etc.CC process included postsynaptic membrane,protoplasmic membrane composition,plasma membrane,organelle membrane,chlorine channel,etc.The MF process includes heme binding,extracellular ligand gated ion channel activity,steroid hydroxylase activity,iron ion binding,steroid binding,etc.The core KEGG pathways enriched by pathway include the neural ligand receptor interaction pathway,steroid hormone biosynthesis,bile secretion,cytochrome P450 metabolic response to exogenous drugs,negative neural signaling pathway,toll-like receptor signaling pathway,etc.The important active ingredients Predicted were borneol,juniper camphor,isoselanflavin,isoselanol,eugenol,eucalyptus olefine,spartanol,ter-turpentine,-pinene,-borneol acetate,cream-carytene,limonene,cur-elemene and cypreslidene.Conclusion:The effect of volatile components of artemisia argyi on knee arthropathy may be based on the regulation of the neural ligand receptor interaction pathway and the negative conduction of toll-like receptor signaling pathways.The pharmacodynamics may be closely related to borneol,juniper camphor,isoselanthin,isoselanol,eugenol and eucalyptus oil.