基于指纹图谱和网络药理学的枳实薤白桂枝汤质量标志物预测  

Q-Markers prediction of Zhishi Xiebai Guizhi Decoction based on fingerprint and network pharmacology

作　　者：徐瑞杰 薛蓉 梅茜 宫静雯 张倩[1] 赵晓莉[1] 严国俊[1] 毛春芹[1] 许金国[1] 陆兔林[1] XU Rui-jie;XUE Rong;MEI Xi;GONG Jing-wen;ZHANG Qian;ZHAO Xiao-li;YAN Guo-jun;MAO Chun-qin;XU Jin-guo;LU Tu-lin(School of Pharmacy,Nanjing University of Chinese Medicine,Nanjing 210023,China)

机构地区：[1]南京中医药大学药学院,江苏南京210023

出　　处：《中草药》2022年第2期372-381,共10页Chinese Traditional and Herbal Drugs

基　　金：国家重点研发计划(2018YFC1707000)。

摘　　要：目的建立枳实薤白桂枝汤(Zhishi Xiebai Guizhi Decoction,ZXGD) HPLC指纹图谱,并结合网络药理学,预测ZXGD潜在的质量标志物(quality markers,Q-Marker)。方法首先建立ZXGD的HPLC指纹图谱的检测方法,并对共有峰进行指认和归属,应用网络药理学方法构建ZXGD的"成分-靶点-通路"网络关系,对其潜在的Q-Marker进行预测。结果ZXGD的HPLC指纹图谱共标定17个共有峰,并指认出7个色谱峰;采用网络药理学方法,筛选出34个核心靶点、8条代谢通路,根据化合物、靶点以及信号通路之间的连接度,初步预测厚朴酚、和厚朴酚、辛弗林、邻甲氧基肉桂醛4个成分为ZXGD潜在的Q-Marker。结论通过HPLC指纹图谱结合网络药理学分析预测ZXGD治疗疾病潜在的Q-Marker,所建立的方法操作简便,重复性好,可用于ZXGD的质量控制,也为深入研究ZXGD的质量标准和作用机制提供支撑和参考。Objective To establish the HPLC fingerprint of Zhishi Xiebai Guizhi Decoction(ZXGD,枳实薤白桂枝汤)and combine with network pharmacology to predict the potential quality markers(Q-Marker)of ZXGD.Methods First,the HPLC fingerprint detection method of ZXGD was established and optimized,and the common peaks were identified and attributed.The network pharmacology was used to construct the“components-targets-pathways”network relationship,and its potential Q-Marker makes were predicted.Results A total of 17 common peaks were obtained in the HPLC fingerprint of ZXGD,and seven chromatographic peaks were identified.Using network pharmacology,34 core targets and eight metabolic pathways were screened out.According to the compounds,targets,and the degree of connectivity between signal pathways,it was preliminarily predicted that the four components of magnolol,honokiol,synephrine,and 2-methoxycinnamaldehyde were the potential Q-Markers of ZXGD.Conclusion The combination of HPLC fingerprint and network pharmacology analysis predicts the potential Q-Marker in ZXGD,the established method is easy to operate and has good reproducibility,and can be used for the quality control of ZXGD,which provides support and reference for in-depth study of the quality standard and action mechanism of ZXGD.

关 键 词：枳实薤白桂枝汤 指纹图谱 网络药理学 质量标志物 经典名方 厚朴酚 和厚朴酚 辛弗林 邻甲氧基肉桂醛 

分 类 号：R283.6[医药卫生—中药学]