| 引用本文: | 谢洁兰,梁建丽,莫小莹,陈晓春,黄秋燕,卿丽婷,谢鲜丽,梁平,罗威,潘小姣,李耀华.基于网络药理学和指纹图谱结合化学模式识别预测瑶药小叶三点金潜在质量标志物[J].中国现代应用药学,2025,42(6):65-74. |
| xie jie lan,liang jian li,mo xiao ying,chen xiao chun,huang qiu yan,qing li ting,xie xian li,liang ping,luo wei,pan xiao jiao,li yao hua.Prediction of potential quality markers of Yao medicine Desmodium microphyllum based on network pharmacology and chemical pattern recognition[J].Chin J Mod Appl Pharm(中国现代应用药学),2025,42(6):65-74. |
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| 基于网络药理学和指纹图谱结合化学模式识别预测瑶药小叶三点金潜在质量标志物 |
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谢洁兰1, 梁建丽1, 莫小莹1, 陈晓春1, 黄秋燕2, 卿丽婷1, 谢鲜丽1, 梁平2, 罗威2, 潘小姣1, 李耀华1
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1.广西中医药大学;2.梧州市中医医院
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| 摘要: |
| 目的 基于质量标志物(Q-Marker)“五原则”、网络药理学、分子对接技术、HPLC指纹图谱及化学模式识别分析预测小叶三点金药材中的潜在Q-Marker。方法 应用网络药理学构建小叶三点金“药物-成分-靶点-通路”的网络,对其潜在Q-Marker进行预测；采用HPLC法建立12批小叶三点金药材指纹图谱,进行相似度评价,采用层次聚类分析(HCA)、主成分分析(PCA)和正交偏最小二乘判别分析(OPLS-DA)对12批小叶三点金样品进行化学模式识别,进一步验证小叶三点金潜在的Q-Marker。结果 基于Q-Marker“五原则”筛选出小叶三点金7个潜在的Q-Marker；采用网络药理学方法筛选出6个潜在Q-Marker；建立了12批小叶三点金药材指纹图谱,确认了9个共有峰,指认出4个色谱峰,分别为原儿茶酸、异荭草苷、荭草苷、木犀草素；经OPLS-DA分析,筛选出异荭草苷和荭草苷2个质量差异成分,进一步验证了异荭草苷、荭草苷可作为小叶三点金潜在的Q-Marker。结论 建立的HPLC指纹图谱方法稳定可行,筛选的异荭草苷和荭草苷2个质量差异成分可作为小叶三点金潜在的Q-Marker,为小叶三点金药材质量控制和药效物质基础及作用机制研究提供了参考依据。 |
| 关键词: 瑶药 小叶三点金 网络药理学 指纹图谱 化学模式识别 质量标志物 |
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| Prediction of potential quality markers of Yao medicine Desmodium microphyllum based on network pharmacology and chemical pattern recognition |
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xie jie lan1, liang jian li1, mo xiao ying1, chen xiao chun1, huang qiu yan2, qing li ting1, xie xian li1, liang ping2, luo wei2, pan xiao jiao1, li yao hua1
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1.Guangxi University of Traditional Chinese Medicine;2.Wuzhou Hospital of Traditional Chinese Medicine
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| Abstract: |
| ABSTRACT: OBJECTIVE To analyse and predict the potential quality markers(Q-Marker) of Desmodium microphyllum which based on the“Five Principles”of quality markers,network pharmacology,molecular docking techniques,HPLC fingerprint and chemical pattern recognition. METHODS The“Drug-ingredient-target-pathway"network was constructed by network pharmacology method to predict the potential Q-Marker of Desmodium microphyllum.The fingerprints of 12 batches of Desmodium microphyllum were established and subjected to similarity evaluation,hierarchical cluster analysis (HCA), principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis(OPLS-DA)were used to chemical patterns recognition in 12 batches of Desmodium microphyllum.The potential Q-Marker of Desmodium microphyllum was further verified. RESULTS Based on the "Five Principles" of Q-Markers, 7 potential Q-markers were selected.Six potential Q-markers were identified by network pharmacology.The fingerprints of 12 batches of Desmodium microphyllum were established. 9 common peaks were calibrated and 4 of them were identified, they were protocatechuic acid, isoorientin, orientin and luteolin.Two different ingredients of isoorientin and orientin were screened by OPLS-DA analysis.It was further confirmed that isoorientin and orientin could be used as potential Q-markers of Desmodium microphyllum. CONCLUSION The established HPLC fingerprint method is stable and feasible , and the two differential ingredients of isoorientin and orientin screened can be used as potential Q-Markers of Desmodium microphyllum，which provided reference for the quality control and pharmacological mechanism research of Desmodium microphyllum. |
| Key words: Yao medicine Desmodium microphyllum network pharmacology fingerprint chemical pattern recognition quality markers |
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