Chemical Profiling Combined with "Omics" Technologies (CP-Omics): a Strategy to Understand the Compatibility Mechanisms and Simplify Herb Formulas in Traditional Chinese Medicines
Chemical Profiling Combined with "Omics" Technologies (CP-Omics): a Strategy to Understand the Compatibility Mechanisms and Simplify Herb Formulas in Traditional Chinese Medicines
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DOI：
10.1002/pca.2685
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发表时间：
2017-09-01
影响因子：
3.3
通讯作者：
Liu, Zhiqiang
中科院分区：
文献类型：
--
作者：
Xu, Tengfei;Pi, Zifeng;Liu, Zhiqiang
前言中药方剂配伍机理不清。为了更好地了解方剂配伍机理和质量控制，有必要对方剂进行简化，建立一种新的方法，通过对方剂中不同成分的含量进行多重分析，同时推断简化方剂。并以五头汤为例，阐述了其工作流程。采用高分辨质谱结合模式识别方法对WTT及其衍生的8个中药组合进行分析，通过分析化合物的含量变化，解释了WTT的配伍机理。结果甘草、麻黄能降低WTT中二酯型二萜生物碱的含量，麻黄能提高WTT中三萜皂苷和单萜苷的含量。通过总体比较，黄芪与甘草配伍、麻黄与甘草配伍的化学成分与WTT相似。因此，由黄芪、麻黄、甘草组成的新简化方也有较好的临床疗效。最后，药理实验结果证实，新的中药组合物具有类似的抗炎活性WTT.ConclusionOur结果表明，CP-组学在药物发现和优化复杂的中药配方具有很大的优势。版权所有（c）2017约翰威利父子有限公司
IntroductionThe compatibility mechanisms of formulas in traditional Chinese medicine (TCM) are indistinct. In order to better understand the compatibility mechanisms and the quality control of the formulas, it is necessary to simplify formulas in TCM research.ObjectiveDeveloping a novel method by multi-analysing the contents of different compounds in formula and inferred simplified formula simultaneously.MethodologyChemical profiling combined with omics technologies (CP-omics) was employed in the present study. Wu-tou Tang (WTT) was taken as an example to elucidate the workflow. We used high definition mass spectrometry combined with pattern recognition methods to analyse WTT and eight herb combinations derived from it. By analysing the content variation of the compounds, the inter compatibility mechanisms of WTT was explained. Cluster analysis classified the herb combinations and inferred a simplified formula.ResultsIt was found that Glycyrrhiza Radix Preparata and Ephedrae Herba could reduce the contents of diester-diterpenoid alkaloids; Ephedrae Herba could increase the contents of triterpene saponins and monoterpene glycosides in WTT. Through the overall comparison, Aconiti Radix Preparata combined with Glycyrrhiza Radix Preparata, Ephedrae Herba combined with Glycyrrhiza Radix Preparata have a similar chemical profiling with WTT. We inferred that a new simplified prescription composed of Aconiti Radix Preparata, Ephedrae Herba and Glycyrrhiza Radix Preparata should also have a good clinical effect. At last, pharmacological results confirmed that the new herb combination possesses similar anti-inflammatory activities to WTT.ConclusionOur results demonstrated that the CP-omics has great advantages in pharmaceutical discovery and optimising complex formulas in TCM. Copyright (c) 2017 John Wiley & Sons, Ltd.