摘要
目的基于指纹图谱和网络药理学分析预测当归四逆汤(DSD)中桂枝的质量标志物(Q-marker)。方法建立桂枝水煎液和DSD的指纹图谱,利用中药色谱指纹图谱相似度评价系统软件(2012年版)进行分析;采用网络药理学筛选和分析桂枝相关成分的作用靶点和通路,构建"成分-靶点-通路"网络,预测DSD中桂枝潜在的Q-marker。结果建立了15批桂枝水煎液和15批DSD的指纹图谱,相似度均>0.96,并指认出7个共有成分,分别为原儿茶酸、香豆素、肉桂酸、桂皮醛、桂皮醇、2-甲氧基肉桂酸和2-甲氧基桂皮醛;通过网络药理学筛选出桂枝的5个活性成分、7个核心靶点和15条关键通路;基于Q-marker"五原则"分析预测2-甲氧基桂皮醛、桂皮醛、肉桂酸为其潜在的Q-marker。结论通过指纹图谱和网络药理学分析预测DSD中桂枝的Q-marker,为全面控制DSD的质量提供依据,为进一步研究DSD的作用机制提供参考,同时为经典名方中复方及单味药的Q-marker的关联性研究提供示范。
Objective To analyze and predict the Q-marker of Cinnamomi Ramulus in Danggui Sini Decoction based on fingerprint and network pharmacology. Methods The fingerprints of Cinnamomi Ramulus Decoction and Danggui Sini Decoction were established, and analyzed by using the similarity evaluation system software for chromatographic fingerprint of traditional Chinese medicine(2012 edition);The network pharmacology was used to screen and analyze the function target and pathway of related components of Cinnamomi Ramulus, and the "component-target-pathway" network was constructed to predict the potential Q-marker of Cinnamomi Ramulus in Danggui Sini Decoction. Results The fingerprints of 15 batches of Cinnamomi Ramulus Decotion and 15 batches of Danggui Sini Decoction were established. The similarity of fingerprints was more than 0.96, and seven common components were identified, including protocatechuic acid, coumarin, cinnamic acid, cinnamaldehyde, cinnamyl alcohol, 2-methoxy cinnamic acid, and 2-methoxy cinnamaldehyde. A total of five active components, seven core target sites and 15 key pathways of Cinnamomi Ramulus were screened out through network pharmacology system, and based on the "Five Principles" of quality markers, 2-methoxy cinnamaldehyde, cinnamaldehyde, and cinnamic acid were predicted as potential quality markers. Conclusion In this study, the quality markers of Cinnamomi Ramulus in Danggui Sini Decoction are analyzed by fingerprint and network pharmacology, which provides a basis for comprehensive control of the quality of Danggui Sini Decoction, reference for further study on the mechanism of Danggui Sini Decoction, and demonstration for the correlation study of quality markers of compound and single medicine in the classic prescription.
作者
夏金鑫
梅茜
郭爽
严国俊
王巧晗
季德
赵晓莉
陆兔林
毛春芹
XIA Jin-xin;MEI Xi;GUO Shuang;YAN Guo-jun;WANG Qiao-han;JI De;ZHAO Xiao-li;LU Tu-lin;MAOChun-qin(College of Pharmacy,Nanjing University of Chinese Medicine,Nanjing 210023,China)
出处
《中草药》
CAS
CSCD
北大核心
2020年第10期2634-2641,共8页
Chinese Traditional and Herbal Drugs
基金
国家重点研发计划项目(2018YFC1707000)
南京市栖霞区科技计划项目(高校院所产学研合作类,GC201802)。
关键词
桂枝
当归四逆汤
指纹图谱
网络药理学
质量标志物
2-甲氧基桂皮醛
桂皮醛
肉桂酸
Cinnamomi Ramulus
Danggui Sini Decoction
fingerprint
network pharmacology
Q-marker
2-methoxy cinnamaldehyde
cinnamaldehyde
cinnamic acid
