摘要
目的利用网络药理学与分子对接技术探讨乌头汤治疗腰椎间盘突出症(LDH)的作用机制。方法使用TCMSP筛选出乌头汤的有效活性成分和靶点信息,并将其转换为相应的基因名;从GeneCard和OMIM数据库中获得LDH的靶点,利用Venny图获得二者共同靶点。利用Cytscape构建“中药-活性成分-疾病靶点”及PPI网络图,利用R软件进行GO和KEGG富集分析,最后对有效活性成分与关键靶点进行分子对接。结果获得乌头汤治疗LDH的有效活性成分151个、共同靶点52个。网络图结果显示,核心活性成分包括槲皮素、山奈酚、木犀草素等,关键靶点包括IL6、TNF、AKT1、IL1B、VEGFA、MMP9等。KEGG通路主要涉及AGE-RAGE、IL-17、TNF等信号通路。分子对接结果显示,有效活性成分与关键靶点之间结合性良好。结论乌头汤通过多成分、多靶点、多通路来治疗LDH,可为乌头汤后续临床应用及研究提供依据与思路。
Objective To explore the mechanism of Wutou decoction in the treatment of lumbar disc herniation(LDH)by using network pharmacology and molecular docking technology.Methods TCMSP was used to screen out the effective active ingredients and target information of Wutou decoction,and convert them into corresponding gene names;the targets of LDH were obtained from the GeneCard and OMIM databases,and the common targets of the two were obtained by Venny plot.Cytscape was used to construct a"Chinese medicine-active ingredient-disease target"and PPI network diagram,and R software was used to perform GO and KEGG enrichment analysis.Finally,molecular docking of effective active ingredients and key targets was performed.Results A total of 151 effective active components and 52 common targets of Wutou decoction in the treatment of LDH were obtained.The results of the network diagram showed that the core active components included quercetin,kaempferol,luteolin,etc.,and the key targets included IL6,TNF,AKT1,IL1 B,VEGFA,MMP9,etc.The KEGG pathway mainly involved AGE-RAGE,IL-17,TNF and other signaling pathways.The results of molecular docking showed that the binding between the effective active components and the key targets was good.Conclusion Wutou decoction treats LDH through multi-component,multi-target and multi-pathway,which can provide basis and ideas for the follow-up clinical application and research of Wutou decoction.
作者
王淑江
龙胜利
WANG Shu-jiang;LONG Sheng-li(Guizhou University of Traditional Chinese Medicine,Guiyang 550002,Guizhou,China;Guiyang Fourth People's Hospital,Guiyang 550007,Guizhou,China)
出处
《医学信息》
2024年第9期16-22,共7页
Journal of Medical Information
基金
贵州省中医药管理局中医药、民族医药科学技术研究课题(编号:QZYY-2023-149)。
关键词
乌头汤
腰椎间盘突出症
网络药理学
分子对接
Wutou decoction
Lumbar disc herniation
Network pharmacology
Molecular docking
