基于系统药理学方法研究头痛宁胶囊治疗偏头痛TNF机制.docVIP

基于系统药理学方法研究头痛宁胶囊治疗偏头痛TNF机制 　　[摘要]头痛宁胶囊是一种临床上治疗偏头痛的中药制剂，疗效确切。该研究采用系统药理学方法对头痛宁胶囊治疗偏头痛的药效成分及TNF机制进行了系统的研究。首先，从数据库中收集头痛宁胶囊单味药材所含化学成分，首次采用ADME性质预测初筛头痛宁胶囊的活性成分，然后利用CSDT模型进行靶标的搜寻和识别，并通过TTD等常见数据库将靶点映射在偏头痛疾病上来确定作用靶标。通过DAVID在线分析工具对靶标进行KEGG通路分析获得与TNF机制相关的靶标。最后，采用Cytoscape软件构建“药材-成分-靶标”之间的网络关系图，通过度值和介数中心度的分析，确定TNF通路中的关键药效成分及靶标，并对该作用机制进行初步探讨。结果表明，头痛宁胶囊中19个化合物与8个靶标在治疗偏头痛的TNF通路中起着至关重要的作用。该研究为头痛宁胶囊药效物质基础及作用机制研究提供了一种新的研究策略，为该制剂药效标志物的确定及临床研究提供了必要的理论依据。 　　[关键词]偏头痛； 头痛宁胶囊； 系统药理学； 肿瘤坏死因子信号通路 　　[Abstract]Toutongning capsule （TTNC） is a traditional Chinese medicine（TCM） with good effect for treating migraine in clinical application. In this paper， a systems pharmacology method was carried out to study the TNF mechanism of the TTNC on the migraine. First， the ingredients for TTNC were collected from TCM databases， and ADME properties prediction was firstly applied to screen out the active compounds of TTNC. Then， the target searching and identification was performed by using CSDT model， and the targets were mapped to the migraine disease to determine the active targets through some common databases like TTD. To obtain the targets related with TNF signaling pathway， KEGG pathway analysis was performed by DAVID online analysis tool. Finally， the herbs-compounds-targets network was built by Cytoscape software. According to the results of degree and betweenness in the network， the key active compounds and targets were determined to explore the TNF mechanism for TTNC. Results showed that 19 active compounds and 8 targets played a crucial role in the treatment of migraine by TNF pathway for TTNC. This work provided a new perspective to deepen the understanding of the TNF signaling pathway mechanism in migraine treatment by TTNC， and may provide a necessary theoretical basis for the determination of effective markers and the clinical research of this medicine. 　　[Key words]migraine； Toutongning capsule； systems pharmacology； TNF signaling pathway 　　偏?^痛（migraine）是一种常见的慢性和阵发性神经系统疾病，有单侧或双侧、搏动