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基于网络药理学和多元统计分析的黄连质量标志物预测分析

[Predictive analysis of quality markers of Coptidis Rhizoma based on network pharmacology and multivariate statistical analysis].

作者信息

Li Chun-Xia, He Qiao-Yu, Liu Jing, Wang Yu-Cheng, Xue Bei-Bei, Tang Qian, Liu Hong, Liu Er-Wei, Chen Xiao-Peng

机构信息

State Key Laboratory of Component-based Chinese Medicine,Tianjin University of Traditional Chinese Medicine Tianjin 301617,China.

出版信息

Zhongguo Zhong Yao Za Zhi. 2021 Jun;46(11):2718-2727. doi: 10.19540/j.cnki.cjcmm.20210125.302.

DOI:10.19540/j.cnki.cjcmm.20210125.302
PMID:34296568
Abstract

Coptidis Rhizoma, as a bulk medicinal material, is in great demand in clinical practice. Its quality is uneven in the market due to the mixture of genuine, counterfeit and adulterants. Therefore, it is particularly important to establish a quality control system for Coptidis Rhizoma. Based on the concept of Chinese medicine quality marker(Q-marker), the potential quality markers of Coptidis Rhizoma were analyzed and predicted from the perspective of chemistry and pharmacology. The sources of the Q-markers of Coptidis Rhizoma were identified by literature retrieval. The potential Q-markers were then screened through the visualization of the "components-targets-pathways" network. High performance liquid chromatography(HPLC) was used to establish a multi-indicator qualitative and quantitative control method featuring fingerprints for 10 batches of Coptidis Rhizoma. A supervised mode of orthogonality partial least squares method-discriminant analysis(OPLS-DA) was used to screen the main marker components that caused differences between groups. The literature review results showed that the alkaloids were the main source of Coptidis Rhizoma Q-markers.The fingerprints of 13 common peaks were successfully established, and berberine, palmatine, berberine and epiberberine were selected as Q-markers of Coptidis Rhizoma, and their contents were determined.Based on the concept of the Q-marker of traditional Chinese medicine, the four components can be selected as the Q-marker of Coptidis Rhizoma after comprehensive consideration. The results of this study are not only conducive to the quality evaluation of Coptidis Rhizoma on the market, but also provide a reference for the overall quality control of Coptidis Rhizoma and lay foundation for the future exploration of the mechanism of Coptidis Rhizoma.

摘要

黄连作为大宗药材,临床需求量大。由于正品、伪品及掺伪品混杂,其市场质量参差不齐。因此,建立黄连质量控制体系尤为重要。基于中药质量标志物(Q-标志物)的概念,从化学和药理学角度分析并预测了黄连潜在的质量标志物。通过文献检索确定黄连Q-标志物的来源。然后通过“成分-靶点-通路”网络可视化筛选潜在的Q-标志物。采用高效液相色谱法(HPLC)建立了10批黄连的指纹图谱多指标定性定量控制方法。采用正交偏最小二乘法判别分析(OPLS-DA)的监督模式筛选导致组间差异的主要标志物成分。文献综述结果表明,生物碱是黄连Q-标志物的主要来源。成功建立了13个共有峰的指纹图谱,选择小檗碱、巴马汀、黄连碱和表小檗碱作为黄连的Q-标志物,并测定了它们的含量。基于中药Q-标志物的概念,综合考虑后这4种成分可作为黄连的Q-标志物。本研究结果不仅有利于市场上黄连的质量评价,也为黄连的整体质量控制提供参考,为今后黄连作用机制的探索奠定基础。

相似文献

1
[Predictive analysis of quality markers of Coptidis Rhizoma based on network pharmacology and multivariate statistical analysis].基于网络药理学和多元统计分析的黄连质量标志物预测分析
Zhongguo Zhong Yao Za Zhi. 2021 Jun;46(11):2718-2727. doi: 10.19540/j.cnki.cjcmm.20210125.302.
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[Material basis of Rhei Radix et Rhizoma-Coptidis Rhizoma combination in alleviating "bitter-cold" properties based on supramolecular chemistry of Chinese medicine].基于中药超分子化学的大黄-黄连药对减轻“苦寒”药性的物质基础研究
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Construction of an optimized method for quality evaluation and species discrimination of Coptidis Rhizoma by ion-pair high performance liquid chromatography combined with response surface methodology.离子对高效液相色谱法结合响应面法构建黄连质量评价和种属鉴别优化方法。
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Comprehensive quality assessment for Rhizoma Coptidis based on quantitative and qualitative metabolic profiles using high performance liquid chromatography, Fourier transform near-infrared and Fourier transform mid-infrared combined with multivariate statistical analysis.基于高效液相色谱、傅里叶变换近红外和傅里叶变换中红外联用与多变量统计分析的黄连综合质量评价。
J Pharm Biomed Anal. 2018 Nov 30;161:436-443. doi: 10.1016/j.jpba.2018.09.012. Epub 2018 Sep 5.

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Quality evaluation of compounds in leaves of six species based on UPLC-MS/MS and chemometrics.基于超高效液相色谱-串联质谱联用技术和化学计量学的六种植物叶片中化合物的质量评价
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