摘要
目的通过网络药理学及分子对接技术探讨颈痛颗粒治疗神经根型颈椎病(CSR)的作用机制。方法通过TCMSP及SwissTargetPrediction数据库搜索颈痛颗粒的化学成分、对应靶点,用DisGeNET等数据库获取CSR相关靶点。应用Cytoscape软件构建“中药-活性成分-靶点网络”图,通过STRING数据库对药物和疾病交集靶点进行PPI分析,通过DAVID进行GO富集分析、KEGG通路分析,最后用Schrodinger′s Maestro软件对活性成分与关键靶点进行验证。结果筛选得到颈痛颗粒中93个化合物,预测得到颈痛颗粒保护CSR的潜在靶点309个,关键靶点涉及SRC、TP53、Akt1、MAPK1、RELA等。分子对接结果表明颈痛颗粒中主要活性成分与关键靶点有一定结合能力。结论颈痛颗粒可能通过抗炎、抗凋亡来减缓椎间盘退变过程从而缓解CSR症状。
Objective:To investigate the mechanism of Jingtong Granules in the treatment of cervical spondylotic radiculopathy(CSR)by network pharmacology and molecular docking techniques.Methods:The chemical constituents and corresponding targets in Jingtong Granules were searched by TCMSP and SwissTargetPrediction database.CSR related targets were obtained from databases such as DisGeNET.The network diagram of TCM-active ingredient-target was constructed by Cytoscape software.PPI analysis of drug and disease intersection targets was carried out through STRING database.GO enrichment analysis and KEGG pathway analysis were performed by DAVID.Active ingredients and key targets were validated using Schrodinger's Maestro software.Results:A total of 93 compounds in Jingtong Granules were screened,and 309 potential targets of CSR protection were predicted.The key targets involved SRC,TP53,Akt1,MAPK1,RELA,etc.The results of molecular docking showed that the main active ingredients in Jingtong Granules had certain binding ability to key targets.Conclusion:Jingtong Granules may alleviate CSR by anti-inflammation and anti-apoptosis in the process of intervertebral disc degeneration.
作者
赵政悦
徐霞
苗金环
周璐
Zhao Zhengyue;Xu Xia;Miao Jinhuan;Zhou Lu(Gansu University of Chinese Medicine,Gansu,Lanzhou 730030,China.)
出处
《中国中医急症》
2024年第11期1895-1898,共4页
Journal of Emergency in Traditional Chinese Medicine
基金
国家自然科学基金项目(81960916)。
关键词
神经根型颈椎病
颈痛颗粒
网络药理学
机制
Cervical spondylopathy radiculopathy
Jingtong Granules
Network pharmacology
Mechanism
