鬼点灯正丁醇提取物成分检测及止咳作用机制挖掘

Component Detection of n-Butanol Fractiont from Bothriospermum Tenellum and Its Mechanism of Relieving Cough

目的 鉴定鬼点灯正丁醇提取物的成分,探讨其止咳作用机制。方法 采用液相色谱-质谱(LC-MS)法对其成分进行检测,并结合自建数据库进行结构鉴定。通过中草药系统药理学平台(TCMSP)、中医药综合数据库(TCMID)、Batman-TCM数据库收集成分靶点,通过GeneCard,OMIM,DisGeNET,TTD数据库筛选疾病相关靶点基因,通过Venny 2.1.0软件获取成分-疾病共有靶点,通过Cytoscape 3.8.0软件进行可视化处理,构建成分-疾病-靶点网络,通过String数据库构建蛋白-蛋白相互作用(PPI)网络,通过R 4.4.1软件进行基因功能(GO)分析、京都基因和基因组数据库(KEGG)通路富集分析。结果 鉴定出55个成分,主要包括有机酸类17个、黄酮类16个、苯酚类12个、香豆素类5个、苯丙素类2个、氨基酸类1个、醌类1个、醇类1个。网络药理学分析结果显示,共筛选出319个共有靶点,活性较强的成分为白藜芦醇、木犀草素、表儿茶素、刺芒柄花素、刺槐素等,止咳作用的关键靶点蛋白为丝氨酸/苏氨酸蛋白激酶1(AKT1)、白细胞介素6(IL-6)、ALB、Jun、胱天蛋白酶3(CASP3)、表皮生长因子受体(EGFR)等;共筛选出218个分子功能条目,包括磷酸酶结合、转录共调节因子结合、AKT活性等;共筛选出189条信号通路,包括癌症、脂质与动脉粥样硬化、前列腺癌、乙型肝炎、麻疹、糖尿病并发症中的晚期糖基化终末产物-晚期糖基化终产物受体(AGE-RAGE)、磷脂酰肌醇-3-激酶-AKT(PI3K-AKT)信号通路等。结论 鬼点灯正丁醇提取物主要含有有机酸类、黄酮类、苯酚类、香豆素类、苯丙素类等化合物,其止咳作用可能主要与癌症、脂质与动脉粥样硬化、乙型肝炎、糖尿病并发症中的AGE-RAGE、PI3K-AKT信号通路等有关。

Objective To identify the components of the n-butanol fraction from Bothriospermum tenellum,and to explore its mechanism of relieving cough.Methods Liquid chromatography-mass spectrometry(LC-MS) was used to detect its components,and the self-built database was used for structural identification.Component targets were collected through the Traditional Chinese Medicine Systems Pharmacology Platform(TCMSP),Traditional Chinese Medicine Integrated Database(TCMID),and Batman-TCM database.Disease-related target genes were screened through GeneCard,OMIM,DisGeNET,and TTD databases.Component-disease common targets were obtained through the Venny 2.1.0 software,and visualized through Cytoscape 3.8.0 software to construct the component-disease-target network.The protein-protein interaction(PPI) network was constructed through the String database,and Gene Function(GO) analysis and Kyoto Gene and Genome Database(KEGG)pathway enrichment analysis were performed through the R 4.4.1 software.Results A total of 55 components were identified,mainly including seventeen organic acids,sixteen flavonoids,twelve phenols,five coumarins,two phenylpropanoids,one amino acid,one quinone,and one alcohol.The results of network pharmacology analysis showed that 319 common targets were screened,with the most active components being resveratrol,luteolin,epicatechol,formononetin,acacetin,etc.The key target proteins for relieving cough were serine/threonine protein kinase 1(AKT1),interleukin-6(IL-6),ALB,Jun,caspase 3(CASP3),and epidermal growth factor receptor(EGFR).A total of 218 molecular functional items were screened,including phosphatase binding,transcription co regulatory factor binding,AKT activity,etc.A total of 189 signal pathways were screened,including signal pathways in cancer,lipid and atherosclerosis,prostate cancer,hepatitis B,measles,advanced glycation end products-receptor for advanced glycation end products(AGE-RAGE) in diabetes complications,and phosphatidylinositol-3-kinase AKT(PI3K-AKT).Conclusion The n-butanol fraction from Bothriospermum tenellum mainly contains organic acids,flavonoids,phenols,coumarins,phenylpropanoids and other compounds.Its mechanism of relieving cough may be related to signaling pathways in cancer,lipid and atherosclerosis,hepatitis B,AGE-RAGE in diabetic complications,and PI3K-AKT.