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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。
Headache capsule is a clinical treatment of migraine traditional Chinese medicine, the exact effect. This study systematically studied the pharmacodynamic effects of TATTN capsule on migraine headache and its mechanism of action by systemic pharmacology. First of all, we collected the chemical constituents of Tongtongning capsule from the database. We first used the ADME property to predict the active ingredients of Totethenning capsule. Then we used CSDT model to search and identify the target. Through the common database such as TTD, Point mapping identifies the target of action in migraine conditions. KEGG pathway analysis was performed on the target with the DAVID online analysis tool to obtain the target related to the TNF mechanism. Finally, Cytoscape software was used to construct the network diagram of “drug-component-target” and to determine the key pharmacodynamic components and targets in the TNF pathway through the analysis of the degree value and the mediuncenter, and the mechanism of action For a preliminary discussion. The results showed that 19 compounds and 8 targets in Toutainining capsule play a crucial role in the treatment of migraine TNF pathway. The study provides a new research strategy for the study of the material basis and mechanism of the effect capsule of Totaining Capsule and provides the necessary theoretical basis for the determination and clinical study of the drug efficacy marker of the preparation.