基于网络药理学探究桂冰腰痛栓治疗腰椎间盘突出症的作用机制

Study on the Mechanism of Guibing Yaotong Suppository in Treating Lumbar Disc Herniation Based on Network Pharmacology

目的 基于网络药理学探究桂冰腰痛栓治疗腰椎间盘突出症的具体分子机制。方法 通过挖掘中药系统药理学数据库与分析平台(TCMSP)数据库和查询文献的方式寻找桂冰腰痛栓的有效成分;在PubChem数据库下载有效成分的2D化学结构式;使用SwissTargetPrediction预测有效成分的潜在靶点;通过GeneCards、TTD、Drugbank、OMIM4个数据库以“Lumbar Disc Herniation”为关键词搜集和腰椎间盘突出症有关的疾病靶点。使用韦恩图取桂冰腰痛栓有关靶点和疾病有关靶点的交集,这一部分靶点视为桂冰腰痛栓治疗腰椎间盘突出症的潜在靶点。将这一部分靶点导入String数据库建立蛋白质-蛋白质相互作用(PPI)网络,得到的结果导入Cytoscape软件进行美化和进一步分析,得到最大集团中心度(MCC值)前10的基因作为核心靶标。利用Metascape平台对潜在治疗靶点进行基因本体(GO)富集分析和京都基因和基因组百科全书(KEGG)通路富集分析以了解这些靶点的功能和所在通路。结果 通过挖掘数据库和查阅文献检索到52个桂冰腰痛栓的有效成分和525个成分靶点,421个腰椎间盘突出症相关靶点;预测桂冰腰痛栓治疗腰椎间盘突出症的有效成分为亚油酸、α-柏木烯、油酸、β-谷甾醇等;核心靶点为AKT1、VEGFA、IL6、MMP9等;生物富集分析表明桂冰腰痛栓主要通过TNF信号通路、AGE-RAGE信号通路、IL-17信号通路等治疗腰椎间盘突出症。结论 桂冰腰痛栓具有多种有效成分,通过影响多个信号通路以及参与多个生物学过程来治疗腰椎间盘突出症。

Objective To explore the specific molecular mechanism of Guibing Yaotong suppository on the treatment of lumbar disc herniation by network phamacology.Methods TCMSP network database and literature materials were used to screen and mine effective components and targets of Guibing Yaotong suppository.The 2D chemical structure formula of effective components were downloaded from the PubChem database.Used SwissTargetPrediction to predict potential targets of active components.The GeneCards、TTD、Drugbank and OMIM online analiysis platform were used to excavate the relevant action targets of lumbar disc herniation.The Venn diagram was used to obtain the joint action targets of drugs and diseases.These targets are considered as potential therapeutic targets of Guibing Yaotong Suppository in the treatment of lumbar disc herniation.The drug-disease co-action targets were imported into the STRING database to establish protein interaction network.The results were imported into Cytoscape software for beautification and further analysis,and the genes with the top 10 MCC values were obtained as the core targets.Metascape platform was used for the GO analysis and KEGG pathway analysis to understand the functions and pathways of these targets.Results By mining database and consulting literature,52 active components and 525 targets of Guibing Yaotong suppository and 421 related targets of lumbar disc herniation were retrieved.It is predicted that the effective components of Guibing Yaotong suppository in the treatment of LDH are linoleic acid、α-Cedrene,oleic acid、β-Sitosterol,etc.The core targets are AKT1,VEGFA,IL6,MMP9,etc.Biological enrichment analysis showed that Guibing Yaotong suppository mainly treat lumbar disc herniation through TNF signal pathway,AGE-RAGE signal pathway and IL-17 signal pathway.Conclusion Guibing Yaotong suppository has a variety of effective components to treat lumbar disc herniation by affecting multiple signal pathways and participating in multiple biological processes.