天然产物研究与开发 ›› 2023, Vol. 35 ›› Issue (8): 1283-1296.doi: 10.16333/j.1001-6880.2023.8.001

• 研究论文 •    下一篇

基于HPLC指纹图谱及网络药理学的杜仲质量标志物预测分析

曾   梅1，王朝晖1,2，王志辉1,2，龙雨青1，曾   娟1，周新茹1，周日宝1,2,3*，刘湘丹1,2,3*   

  1. 1湖南中医药大学药学院；2湘产大宗道地药材种质资源及规范化种植重点研究室；3 湖南省普通高等学校中药现代化研究重点实验室，长沙 410208
  • 出版日期:2023-08-28 发布日期:2023-08-30
  • 基金资助:
    国家现代农业产业技术体系资助（CARS-21）；湖南省中医药管理局科研项目D2022131（A2022005-9）；2020年湖南省一流专业建设点：中药资源与开发（2020-248）；湖南中医药大学中药学一流学科项目（2018-3）

Predictive analysis of Eucommia ulmoides quality markers based on HPLC fingerprint and network pharmacology

ZENG Mei1,WANG Zhao-hui1,2,WANG Zhi-hui1,2,LONG Yu-qin1,ZENG Juan1,ZHOU Xin-ru1,ZHOU Ri-bao1,2,3*,LIU Xiang-dan1,2,3*
  

  1. 1College of Pharmacy,Hunan University of Traditional Chinese Medicine;2Hunan Key Laboratory of Germplasm Resources and Standardized Cultivation of Large and Authentic Medicinal Materials;3Hunan Provincial Key Laboratory of Modernization of Traditional Chinese Medicine,Colleges and Universities,Changsha 410208,China
  • Online:2023-08-28 Published:2023-08-30

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摘要：

通过建立杜仲不同部位HPLC指纹图谱分析方法，结合网络药理学预测杜仲潜在质量标志物。基于中药质量标志物（Q-Marker）的理论依据，结合指纹图谱和网络药理学对杜仲Q-Marker进行初步预测分析，对63批杜仲不同部位样品进行相似度评价，同时分别进行主成分分析（PCA）及偏最小二乘法判别分析（PLS-DA）；通过网络药理学筛选杜仲相关成分的靶点和通路，构建“成分-靶点-通路”网络图，预测杜仲的Q-Marker。本研究建立了63批杜仲不同部位的指纹图谱，相似度均大于0.900，经筛选得到8个化合物，173个靶点，包括PIK3R1、HRAS、AKT1、EGFR、SRC等11个核心靶点，涉及氨代谢、癌症通路、脂质和动脉粥样硬化、癌症蛋白聚糖、PI3K-Akt信号通路、卵巢类固醇生成等主要通路，并构建成分-靶点-通路图。预测绿原酸、芦丁、京尼平苷为杜仲叶潜在Q-Marker，桃叶珊瑚苷、京尼平苷酸、松脂醇二葡萄糖苷为杜仲皮潜在Q-Marker，京尼平苷酸、京尼平苷、桃叶珊瑚苷为杜仲雄花潜在Q-Marker，将绿原酸、京尼平苷酸、桃叶珊瑚苷为杜仲果荚潜在Q-Marker。

关键词: 杜仲不同部位, 指纹图谱, 网络药理学, 质量标志物, 靶点, 通路

Abstract:

The potential mass markers of Eucommia ulmoides were predicted by establishing an HPLC fingerprint analysis method for different parts of E. ulmoides combined with network pharmacology.Based on the theoretical basis of traditional Chinese medicine (TCM) quality markers (Q-Marker) combined with fingerprint mapping and network pharmacology for primary prediction analysis of Q-Marker of E. ulmoides, 63 batches of samples from different parts of E. ulmoides were evaluated for similarity,along with principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA),respectively;Through network pharmacology to screen the targets and pathways of related ingredients in E. ulmoides,a ‘ingredient target pathway’ network diagram was constructed to predict Q-Marker in E. ulmoides. In this study, we established 63 batches of fingerprints from different parts of E. ulmoides with similarity scores greater than 0.900,which were screened to obtain eight compounds and 173 targets,including 11 core targets including PIK3R1,HRAS,AKT1,EGFR,SRC,and other major pathways involved in ammonia metabolism,cancer pathways,lipids and atherosclerosis,cancer proteoglycans,PI3K Akt signaling pathway,and ovarian steroidogenesis,and constructed component target pathway maps.Chlorogenic acid,rutin and geniposide were predicted to be potential Q-Marker for E. ulmoides leaves,aucubin,geniposidic acid and pinoresinol diglucoside were predicted to be potential Q-Marker for E. ulmoides bark,geniposidic acid,geniposide and aucubin were predicted to be potential Q-Marker for E. ulmoides male flower,chlorogenic acid,geniposidic acid,aucubin were identified as potential Q-Marker for E. ulmoides pods.

Key words: different parts of Eucommia ulmoides, fingerprint pattern, network pharmacology, Q-Marker, targets, pathways

中图分类号:  R284.1

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