基于超高效液相色谱-四极杆-飞行时间质谱和网络药理学技术分析银花感冒颗粒化学成分及其治疗作用的分子机制

Observation of chemical constituents and molecular mechanism of Yinhuaganmao granules based on ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry and network pharmacology

目的快速鉴定银花感冒颗粒中的化学成分,并基于网络药理学技术探讨银花感冒颗粒治疗感冒的分子机制。方法采用超高效液相色谱-四极杆-飞行时间质谱(UPLC-Q-TOF/MS)解析银花感冒颗粒中的化学成分;从Swiss Target Prediction等数据库预测药物成分作用靶点,并通过疾病相关靶点数据库得到疾病靶点;对预测靶点与疾病靶点取交集;利用STRING数据库得到间接作用蛋白靶点;通过David数据库进行通路分析和间接靶点筛选,并得到化合物-靶点-通路图。结果银花感冒颗粒中共检测到31种化合物,其中15种来源于金银花,6种来源于连翘,5种来源于防风,3种来源于甘草,2种来源于桔梗。通过网络药理学研究发现银花感冒颗粒中28种活性化学成分的43个直接靶点、84个间接靶点及Toll样受体信号通路、细胞凋亡和趋化因子信号通路等8条通路与流行性感冒、感染、咽喉痛等疾病有较强的相互作用。结论 UPLC-Q-TOF/MS技术可以简单、快速、高效地对银花感冒颗粒中化学成分进行定性分析。银花感冒颗粒的网络药理学研究,对阐明银花感冒颗粒治疗感冒的分子机制,在发掘银花感冒颗粒新的适应证等方面有重要意义。

Objective To identify the chemical components in Yinhuaganmao particles quickly,and to explore the molecular mechanism of Yinhuaganmao granules in treating colds based on network pharmacology technology.Methods Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF/MS)was adopted to analyze the chemical components in Yinhuaganmao granules.The target of drug ingredients was predicted from databases such as Swiss Target Prediction,disease targets were obtained through disease-related target database.The STRING database and the David database were used for pathway analysis and indirect target screening,and the compound-target-path map was obtained.Results Totally 31 compounds were identified from Yinhuaganmao granules,including 15 from honeysuckle,6 from forsythia suspensa vahl,5 from the root of fangfeng,3 from liquorice and 2 from platycodon grandiflorum.Network pharmacology analysis revealed that 43 direct action targets,84 Interaction targets,8 kegg pathways including Toll-like receptor signaling pathway,cell apoptosis were enriched from 28 active constituents,reflecting anti-cold mechanism of Yinhuaganmao granules.Conclusions The UPLC-Q-TOF/MS technology can be used to qualitatively analyze the chemical composition of Yinhuaganmao granules simply,quickly and efficiently.The network pharmacology research of Yinhuaganmao granules plays an important role in elucidating the molecular mechanism of Yinhuaganmao granules in treating colds and exploring new indications for Yinhuaganmao Granules.