基于特征图谱,血清药物化学及网络药理学研究芪明颗粒质量标志物  

Study on quality markers of Qiming Granules based on characteristic chromatogram,serum pharmacochemistry and network pharmacology

作　　者：黄宇霞 匡微 王宇 张梅[1] HUANG Yuxia;KUANG Wei;WANG Yu;ZHANG Mei(State Key Laboratory of Southwestern Chinese Medicine Resources,School of Pharmacy,Chengdu University of Traditional Chinese Medicine,Sichuan Chengdu 611137,China)

机构地区：[1]西南特色中药资源国家重点实验室,成都中医药大学药学院,四川成都611137

出　　处：《中国医院药学杂志》2024年第15期1750-1758,共9页Chinese Journal of Hospital Pharmacy

基　　金：国家自然科学基金(编号:82174273,81774202);成都中医药大学杏林学者项目(编号:CXTD2018010)。

摘　　要：目的:基于特征图谱、中药血清药物化学理论及网络药理学方法研究芪明颗粒治疗糖尿病视网膜病变的关键质量标志物。方法:通过UPLC-DAD-ELSD建立芪明颗粒的特征图谱;使用UPLC-Q-Exactive Orbitrap-MS分析芪明颗粒的体外成分以及体内入血原型成分;整合特征图谱及血清药物化学研究结果,通过网络药理学,使用Cytoscape 3.9.1软件,构建芪明颗粒“成分-糖尿病视网膜病变靶点-通路”网络图,通过拓扑学分析及GO富集分析,得到与糖尿病视网膜病变相关的关键性成分,并通过分子对接初步验证其有效性;综合相关文献数据,确定芪明颗粒的潜在关键质量标志物。结果:特征图谱中共指认共有峰6个,分别为梓醇、葛根素、大豆苷、鹰嘴豆芽素A、大黄酚、黄芪甲苷;中药血清药物化学研究结果,体外共鉴定出甜菜碱、黄芪甲苷、香草酸等77个成分,体内共鉴定出毛蕊异黄酮、大豆苷元、汉黄芩素等13个入血原型成分。依据质量标志物“五原则”,经整合特征图谱及血清药物化学研究结果,结合网络药理学及文献分析最终确定了梓醇、大豆苷、大黄酚、黄芪甲苷、毛蕊异黄酮、汉黄芩素、葛根素、鹰嘴豆芽素A、大豆苷元9个成分为芪明颗粒关键质量标志物。结论:初步确定了芪明颗粒9个关键质量标志物,为阐明芪明颗粒的药效物质基础提供了依据。OBJECTIVE Based on the theory of characteristic chromatogram,serum pharmacochemistry of traditional Chinese medicine and network pharmacology,the key quality markers of Qiming Granules in the treatment of diabetic retinopathy were studied.METHODS The characteristic chromatogram of Qiming Granules was established by UPLC-DAD-ELSD.UPLC-Q-Exactive Orbitrap-MS was used to analyze the in vitro components of Qiming Granules and the prototype components entering the blood in vivo.Integrating the results of characteristic chromatogram and serum pharmacochemistry,the“componentdiabetic retinopathy target-pathway”network diagram of Qiming Granules was constructed by using Cytoscape 3.9.1 software through network pharmacology.The key components related to diabetic retinopathy were obtained by topology analysis and GO enrichment analysis,and their effectiveness was preliminarily verified by molecular docking.Based on the relevant literature data,the potential key quality markers of Qiming Granules were determined.RESULTS Among them,6 common peaks were identified in the characteristic chromatogram,which were catalpol,puerarin,daidzin,biochanin A,chrysophanol and astragalosideⅣ.The results of serum pharmacochemistry of traditional Chinese medicine showed that 77 components such as betaine,astragaloside Ⅳ and vanillic acid were identified in vitro,and 13 prototype components such as calycosin,daidzein and wogonin were identified in vivo.According to the“five principles”of quality markers,the results of characteristic spectra and serum pharmacochemistry were integrated,and combined with network pharmacology and literature analysis,9 components such as catalpol,daidzin,chrysophanol,astragaloside Ⅳ,calycosin,wogonin,puerarin,biochanin A and daidzein were finally determined as the key quality markers of Qiming Granules.CONCLUSION Nine key quality markers of Qiming granules were preliminarily determined.It provides a basis for elucidating the pharmacodynamic material basis of Qiming Granules.

关 键 词：芪明颗粒 糖尿病视网膜病变 质量标志物 特征图谱 血清药物化学 网络药理学 

分 类 号：R917[医药卫生—药物分析学]