[关键词]
[摘要]
目的 通过网络药理学方法研究雷公藤多苷片主要活性成分治疗肾病综合征的作用机制。方法 通过检索雷公藤多苷片的主要活性成分及其对应人体作用靶点、肾病综合征相关靶点,找到雷公藤多苷片治疗肾病综合征相关靶点,进行分子对接验证化合物与靶点的结合活性。绘制蛋白与蛋白相互作用(PPI)网络图、化合物-靶点网络图、化合物-靶点-通路网络图,并分析作用机制。结果 得到雷公藤甲素、雷公藤乙素等主要活性成分14种,获得肾病综合征相关靶点1 124个,共同靶点136个。分子对接验证结果化合物与靶点具有较好的结合活性。通过GO富集分析获得11种主要分子功能(MF)、10种主要细胞组分(CC)、12种主要生物学过程(BP)。获得核心靶点间相互作用网络、化合物-核心靶点-信号通路网络图。结论 雷公藤多苷片中14种主要活性成分通过作用于人体内肾病综合征相关靶点,影响体内信号通路传导,从而起到干预肾病综合征疾病进程的作用。
[Key word]
[Abstract]
Objective To study the mechanism of the main active ingredients of Tripterygium Glycosides Tablets on nephrotic syndrome by network pharmacology method. Methods By searching the main active components of Tripterygium Glycosides Tablets, their corresponding human targets, and nephrotic syndrome-related targets, the relevant targets of Tripterygium Glycosides Tablets in the treatment of nephrotic syndrome were found in this paper. Molecular docking was performed to verify the binding activity of the compound to the target. Protein-protein interaction (PPI) network map, compound-target network map, and compound-target-path network map were drawn. And the mechanism of action was analyzed. Results 14 Main active ingredients such as triptolide and tripdiolide, and 1 124 targets related to nephrotic syndrome were obtained. There were 136 common targets. Molecular docking confirmed that the compound had good binding activity to the target. 11 Major molecular functions, 10 major cellular components, and 12 major biological processes were obtained by GO enrichment. A core targets interaction network, a compound-core target-signal pathway network map were drawn. Conclusion The main active components in Tripterygium Glycosides Tablets can affect the signaling pathway by acting on related targets in the human body, thus acting to interfere the disease process.
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[基金项目]
国家科技重大专项重大新药创制项目(2018ZX09734-002);国家自然基金青年科学基金资助项目(81703861)