基于网络药理学与分子对接的白芍抗胆汁淤积的机制研究

Anti-cholestasis Mechanism Research of Paeoniae Radix Alba via Network Pharmacology and Molecular Docking

目的:基于网络药理学方法探究白芍抗胆汁淤积的药理作用机制。方法:借助TCMSP和Swiss Target Prediction平台得到白芍活性成分及其对应靶点,CTD、NCBI、GeneCards数据库搜集胆汁淤积相关靶点,交集靶点通过Draw Venn Diagrams分析工具获得。运用Cytoscape3.7.1对交集靶点进行PPI、GO富集和KEGG通路富集分析。结果:与胆汁淤积靶点相关的活性成分共10个,交集靶点79个,胆汁淤积相关的GO富集term有30条;KEGG通路富集主要涉及19条相关通路。分子对接验证发现白芍活性成分与PPI中度值较高的靶点均能稳定结合。结论:利用白芍抗胆汁淤积的多成分-多靶点-多通路的特点,阐明其药理作用机制。

Objective: To explore the pharmacological mechanism of Paeoniae Radix Alba against cholestasis based on network pharmacology.Methods: TCMSP and Swiss Target Prediction platform were used to obtain the active compounds of Paeoniae Radix Alba and its targets.Cholestasis-related targets were collected by CTD,NCBI and Gene Cards databases.The common targets were obtained by the Draw Venn Diagrams analysis tool.Cytoscape3.7.1 was used for PPI,GO and KEGG enrichment analysis of intersection targets.Results: There were 10 active compounds related to cholestasis targets, 79 common targets, 30 GO enrichment terms related to cholestasis;KEGG pathway enrichment mainly involved 19 related pathways.Molecular docking verification showed that the active compounds of Paeoniae Radix Alba could bind stably with the targets, which had high PPI medium value.Conclusion: Based on the characteristics of multi-components, multi-targets and multi-pathway of Paeoniae Radix Alba against cholestasis, the pharmacological mechanism is explored.