基于化学模式识别和网络药理学的河南生地黄潜在质量标志物预测  

Prediction of Potential Quality Markers of Rehmanniae Radix in Henan Province Based on Chemical Pattern Recognition and Network Pharmacology

作　　者：张迪文 李更生[1] 马开[1] 刘明[1] 王慧森[1] 刘一菲 杨丹 ZHANG Di-wen;LI Geng-sheng;MA Kai;LIU Ming;WANG Hui-sen;LIU Yi-fei;YANG Dan(Institute of Chinese Materia Medica,Henan Integrative Medicine Hospital(Henan Academy of Chinese Medicine),Zhengzhou 450004,China)

机构地区：[1]河南省中西医结合医院(河南省中医药研究院)中药研究所,河南郑州450004

出　　处：《中国现代中药》2024年第11期1900-1908,共9页Modern Chinese Medicine

基　　金：河南省中医药科学研究专项 (2023ZY2141,20-21ZYZD13);河南省中医药研究院基本科研业务费课题(2204968,2304030)。

摘　　要：目的:基于高效液相色谱法(HPLC)指纹图谱、化学模式识别、质量标志物(Q-marker)“五原则”和网络药理学方法,分析预测河南产生地黄潜在Q-marker。方法:采用HPLC建立16批河南产生地黄的指纹图谱;运用正交偏最小二乘法-判别分析(OPLS-DA)筛选组间主要差异成分,运用网络药理学方法构建差异成分的活性成分-靶点-通路网络,并进行定量分析。结果:建立了16批河南产生地黄的指纹图谱,标定了20个共有峰,指认了7个成分;OPLS-DA筛选得到10个差异成分,指认了其中5个成分。结合中药Q-marker“五原则”和网络药理学分析,筛选出梓醇、桃叶珊瑚苷、地黄苷D、益母草苷、京尼平苷酸、毛蕊花糖苷、异类叶升麻苷为河南产生地黄的潜在Q-marker。结论:建立的HPLC指纹图谱方法准确稳定,筛选得到的7个差异成分可作为河南产生地黄的潜在Q-marker,为河南产生地黄质量评价和药效机制研究提供参考。Objective:To analyze and predict potential quality markers(Q-markers)for Rehmanniae Radix in Henan province based on HPLC fingerprint,chemical pattern recognition,the Five Principles of Q-markers,and network pharmacology.Methods:Fingerprints of 16 batches of Rehmanniae Radix in Henan province were established by HPLC method.Orthogonal partial least squares discriminant analysis(OPLS-DA)was used to screen the main differential components of common peaks between groups.An active ingredient-target-pathway network was constructed for differential components using network pharmacology,followed by quantitative analysis.Results:The fingerprints of 16 batches of Rehmanniae Radix in Henan province were established,20 common peaks were calibrated,and 7 components were identified.OPLS-DA analysis identified 10 differential biomarkers and 5 differential components.Potential Q-markers for Rehmanniae Radix in Henan province were identified,including catalpol,aucubin,rehmannioside D,ajugol,geniposidic acid,acteoside,and isoacteoside,by the Five Principles of Chinese medicine Q-markers and network pharmacology analysis.Conclusion:The established HPLC fingerprint method is accurate and stable,and the selected seven differential components can serve as potential Q-markers for Rehmanniae Radix in Henan province,providing a reference for the quality evaluation and pharmacological mechanism research of Rehmanniae Radix in Henan province.

关 键 词：生地黄 质量标志物 指纹图谱 正交偏最小二乘法-判别分析 网络药理学 

分 类 号：R284[医药卫生—中药学]