摘要
目的利用网络药理学及分子对接技术,预测独活-桑寄生药对治疗腰椎间盘突出症的作用机制。方法运用TCMSP网络数据库对独活-桑寄生两味中药的主要有效成分及作用靶点进行筛选和挖掘,利用Cytoscape3.7.2软件,构建中药成分-靶点网络图;以GeneCards及OMIM在线分析平台挖掘腰椎间盘突出症的相关作用靶点,构建独活-桑寄生治疗腰椎间盘突出症的蛋白互作网络图(PPI),并筛选出独活-桑寄生治疗腰椎间盘突出症的核心靶点。通过David数据库进行GO生物过程及KEGG通路富集分析。最终将独活-桑寄生中主要有效成分与核心靶点进行分子对接。结果独活-桑寄生药对成分-靶点网络图包含13个有效成分,相对应靶点105个;腰椎间盘突出症相关靶点366个。其中槲皮素、β-谷甾醇和异紫花前胡内酯等有效成分可能是独活-桑寄生药对治疗腰椎间盘突出症的关键成分。核心靶点涉及IL-1β、IL-6、TNF-α、VEGF等19个。KEGG通路富集分析提示这些靶点参与HIF-1信号通路、TNF信号通路等17条通路。分子对接结果显示,独活-桑寄生药对中有效成分在与核心靶点对接中均具有很强的结合能力。结论独活-桑寄生药对中的槲皮素、β-谷甾醇和异紫花前胡内酯等有效成分很可能通过IL-1β、IL-6、TNF-α、VEGF等靶点作用于HIF-1、TNF等信号通路,发挥治疗腰椎间盘突出症的作用。说明了独活-桑寄生药对治疗腰椎间盘突出症具有多成分、多靶点、多通路的特点,为进一步临床提供了理论基础。
Objective To explore the mechanism of Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba)on the treatment of lumbar disc herniation by network pharmacology.Methods TCMSP network database was used to screen and mine the main effective components and targets of Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba),and Cytoscape3.7.2 software was used to construct the network diagram of traditional Chinese medicine components and targets.The GeneCards and OMIM online analysis platform were used to excavate the relevant action targets of lumbar disc herniation.Based on STRING database,the protein interaction network map(PPI)of eucommia bark-dipsacus asperoides was constructed,then topological analysis was carried out to screen out the core targets of eucommia barkdipsacus asperoides.David database was used to analyze biological pathways and enrichment of drug-disease intersection targets.Finally,the main effective components in Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba)were molecularly docked with the core target.Results Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba)component-target network diagram contained 13 active components,corresponding to 105 targets.There were 366 targets related to lumbar disc herniation,among them quercetin,β-sitosterol and marmesin may be the key components of Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba)in the treatment of lumbar disc herniation.The core targets more than 19 including IL-1β,IL-6,TNF-α,and VEGF.The enrichment analysis of KEGG pathway indicated that these targets participate in 17 pathways such as HIF-1 and TNF signal pathway.The results of molecular docking showed that the effective components in Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba)had strong binding ability in docking with the core target.Conclusion Effective components such as quercetin,β-sitosterol,and marmesin in Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba)are likely to act on HIF-1 and TNF signal pathway through IL-1β,IL-6,TNF-α,VEGF thus playing important role in treating lumbar disc herniation,which provides a theoretical basis for further molecular biology and clinical study.
作者
张鑫
李志超
辛健
李念虎
ZHANG Xin;LI Zhichao;XIN Jian;LI Nianhu(Shandong University of Traditional Chinese Medicine,Jinan 250355,Shandong,China;Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Jinan 250355,Shandong,China)
出处
《辽宁中医药大学学报》
CAS
2021年第8期202-205,221,共5页
Journal of Liaoning University of Traditional Chinese Medicine
基金
曹贻训全国名老中医传承工作室项目(国中医药人教函〔2018〕134号)
山东省自然科学基金面上项目(ZR2019MH044)
徐展望山东省名老中医药专家传承工作室建设项目(山东省卫健委鲁卫函[2019]92号)
关键词
独活-桑寄生
网络药理学
分子对接
腰椎间盘突出症
机制
Duhuo(Angelicae Pubescentis Radix)-Sangjisheng(Taxilli Herba)
network pharmacology
molecular docking
lumbar disc herniation
mechanism
作者简介
张鑫(1996-),男,山东潍坊人,硕士研究生,研究方向:脊髓损伤及退变性疾病;通讯作者:李念虎(1973-),男,山东聊城人,主任医师、教授,博士,研究方向:脊柱、脊髓损伤及退变性疾病。E-mail:tigerlee073@126.com。
