小半夏汤治疗呕吐的网络药理学初步分析

A PRELIMINARY NETWORK PHARMACOLOGICAL ANALYSIS OF XIAOBANXIA DECOCTION IN TREATING VOMITING

目的利用网络药理学技术,研究小半夏汤抗呕吐的药效物质基础,预测其作用机制。方法利用TCMSP系统筛选小半夏汤的药物活性成分,在Swiss Target Prediction平台进行靶点预测,利用NAVID和KOBAS网站对其进行GO分析和KEGG分析,应用Cytoscape 3.2.1构建“成分-靶点”和“靶点-通路”关系拓扑网络模型。结果共筛选得到29种化学成分、191个靶点,自由度较高的成分有豆甾醇、6-姜烯酚,自由度最高的靶点是TDP1;通过KEGG分析,与呕吐有关的包括神经激活过程中的配体-受体相互作用、钙信号、5-HT合成途径、炎症过程、多巴胺信号途径、内源性大麻素信号途径等。结论本研究对小半夏汤主要活性成分的药理作用机制进行了初步分析汇总,其抗呕吐作用涉及多种活性成分及多种机制,为今后预测分析其各种成分的相关靶点及通路研究提供了一定依据。

Objective To investigate the material basis of the therapeutic efficacy of Xiaobanxia Decoction(XBXD)in vomiting and predict related mechanisms using the network pharmacology approach.Methods The active ingredients of XBXD were screened for through the TCMSP system.Target prediction was conducted on the platform Swiss Target Prediction.GO ana-lysis and KEGG analysis were performed on the NAVID website and KOBAS website,respectively.Cytoscape 3.2.1 was used to construct the“component-target”and“target-pathway”network topology models.Results A total of 29 chemical constituents and 191 targets were screened out.Stigmasterol and 6-shogaol were the components with a relatively high degree of freedom.TDP1 is the target with the highest degree of freedom.According to KEGG analysis,vomiting-related biological processes included neu-roactive ligand-receptor interaction,calcium signaling pathway,5-hydroxytryptamine synthesis,inflammatory process,dopaminergic pathway,and endocannabinoid signaling pathway.Conclusion This study preliminarily analyzes and summarizes the pharmacological mechanisms of the main active ingredients of XBXD,whose anti-vomiting effect involves many active ingredients and mechanisms.It provides a basis for predictive analysis for the related targets and pathways of various constituents of XBXD.