瓜蒌皮注射液治疗稳定型心绞痛作用机制的网络药理学研究  

Mechanism Study of Gualoupi Injection in the Treatment of Stable Angina Pectoris Based on Network Pharmacology

作　　者：魏龙 李文洁 洪国君 陶洋[1] 吴连平 WEI Long;LI Wenjie;HONG Guojun;TAO Yang;WU Lianping(Gaochun Hospital Affiliated to Jiangsu University,Nanjing,Jiangsu,China 211300)

机构地区：[1]江苏大学附属高淳医院,江苏南京211300

出　　处：《中国药业》2024年第4期47-52,共6页China Pharmaceuticals

基　　金：江苏省药学会-天晴医院药学基金[Q202113]。

摘　　要：目的探讨瓜蒌皮注射液治疗稳定型心绞痛(SAP)的作用机制。方法检索相关文献,获取制剂活性成分,采用SwissTargetPre⁃diction数据库预测其靶点。利用GeneCards数据库获取SAP疾病靶点;利用Venny 2.1平台获取共有靶点;利用MetaScape软件对作用靶点进行基因本体论(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析,利用Cytoscape 3.9.1软件构建成分-靶点-通路网络,通过String数据库构建蛋白相互作用网络;通过基因表达综合(GEO)数据库获取的差异表达基因和分子对接进行验证,采用PyMOL 2.3.0软件进行可视化分析。结果共获得制剂活性成分57个,靶点517个,其中26个作用于SAP。核心活性成分为黄酮类,如木犀草素、芦丁、木犀草苷、芹菜素-7-O-β-D-葡萄糖苷和香叶木素-7-O-β-葡萄糖苷,核心靶点为TNF,FGF2,MMP-9,ICAM1,EGFR等。基因主要富集于37个GO功能(其中生物过程20个,分子功能9个,细胞组成8个)及9条KEGG通路。验证结果表明,活性成分可特异性作用于部分疾病差异表达基因。核心活性成分与靶点的结合能均小于-10.6 kcal/mol。结论瓜蒌皮注射液可能通过多种活性成分作用于多个特异性靶点,进而通过多通路发挥抗炎、抗氧化应激、抗凋亡作用,从而治疗SAP。Objective To investigate the mechanism of Gualoupi Injection in the treatment of stable angina pectoris(SAP).Methods The relevant studies were searched to obtain the active ingredients of the preparation,and the SwissTargetPrediction database was used to predict their targets.The GeneCards database was used to obtain the SAP targets.The Venny 2.1 platform was used to obtain the common targets.The MetaScape software was used to perform the Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis on targets,the Cytoscape 3.9.1 software was used to construct an ingredient-target-pathway network,and the String database was used to construct a protein-protein interaction(PPI)network.The differentially expressed genes in the Gene Expression Omnibus(GEO)database and molecular docking was used for verification,and the PyMOL 2.3.0 software was used for visualization analysis.Results A total of 57 active ingredients were obtained from the preparation.There were 517 targets,of which 26 were related to SAP.The core active ingredients were flavonoids such as luteolin,rutin,cynaroside,apigenin-7-O-β-D-glucoside and diosmetin-7-O-β-glucoside,the core targets were TNF,FGF2,MMP-9,ICAM1,EGFR and others.The genes were mainly enriched in thirty-seven GO functions(including twenty biological processes,nine molecular functions,eight cellular components)and nine KEGG pathways.The verification showed that the active ingredients could specifically act on some differentially expressed genes of diseases.The binding energy of core active ingredients with targets was lower than-10.6 kcal/mol.Conclusion Gualoupi Injection may exert anti-inflammatory,antioxidant stress and anti-apoptotic effects through multiple active ingredients,specific targets and pathways,thereby exerting therapeutic effects on SAP.

关 键 词：瓜蒌皮注射液 稳定型心绞痛 作用机制 网络药理学 分子对接 

分 类 号：R969.3[医药卫生—药理学] R541.1[医药卫生—药学]