基于网络药理学探讨小半夏汤防治化疗性恶心呕吐的作用机制

目的:运用网络药理学探讨小半夏汤防治化疗性恶心呕吐机制。方法:通过药物作用靶点数据库(TTD),Drugbank数据库和Dis Ge NET数据库收集化疗性恶心呕吐的靶点,经Uniprot数据库对靶点基因进行标准化;在中药系统药理学数据库与分析平台数据库(TCMSP)中按口服生物利用度(OB)≥30%,类药性(DL)≥0.14条件并结合文献研究筛选出半夏、生姜的有效成分,通过Pub Chem数据库,ALOGPS2.1数据库和Swiss Target Prediction数据库收集半夏、生姜靶点并经Uniprot数据库标准化;通过DRAR-CPI数据库对重要成分6-姜酚进行分子反向对接;通过DAVID 6.8数据库进行基因本体(GO)分析和京都基因与基因组百科全书(KEGG)通路分析;通过Cytoscape3.2.1软件绘制关系图并进行网络拓扑参数分析;通过Image GP工具绘制GO和KEGG气泡图。结果:获得化疗性恶心呕吐148个靶点,小半夏汤27个有效成分,其中22个与化疗性恶心呕吐相关,38个防治靶点,GO分析67个生物学过程,11个细胞组分,18个分子功能,21条KEGG通路,包括环腺苷酸(c AMP)信号通路、钙离子信号通路及Rap1信号通路等。结论:基于网络药理学对化疗性恶心呕吐、小半夏汤进行分析,为探讨小半夏汤防治化疗性恶心呕吐机制提供思路。

Mechanism of Xiao Banxiatang in Preventing Chemotherapy-induced Nausea and Vomiting Based on Network Pharmacology

Objective:To explore the mechanism of Xiao Banxiatang in preventing and treating chemotherapy-induced nausea and vomiting by using network pharmacology.Method:The targets of chemotherapyrelated nausea and vomiting were collected by therapeutic target database(TTD),Drugbank database and Dis GeNET database.The target genes were normalized by Uniprot database.The traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)was selected according to oral bioavailabilityc(OB)≥30%,drug-likeness(DL)≥0.14 and the literature research.The active constituents of pinellia ternata and ginger were collected through the PubChem database,the ALOGPS2.1 database and the Swiss Target Prediction database,and the target of ginger was collected and standardized through the Uniprot database,the molecular inverse docking of the important component 6-gingerol was carried out through the DRAR-CPI database,gene ontology(GO)analysis and kyoto encyclopedia of genes and genomes(KEGG)pathway analysis were performed through DAVID 6.8 database,and relationship diagrams were drawn by Cytoscape 3.2.1 software and network topology parameters were analyzed,GO and KEGG bubble maps were drawn by ImageGP tool.Result:A total of 148 targets for chemotherapeutic nausea and vomiting,and 27 active ingredients of Xiao Banxiatang were collected,including 22 associated with chemotherapeutic nausea and vomiting,38 control targets,67 biological processes based on GO analysis,11 cell components,18 molecular functions,21 KEGG pathways,involving cyclic Adenosine monophosphate(cAMP)signaling pathway,calcium signaling pathway,Rap1 signaling pathway.Conclusion:Based on network pharmacology,chemotherapy-related nausea and vomiting and Xiao Banxiatang were analyzed to provide ideas for the prevention and treatment of chemotherapy-induced nausea and vomiting.