Integration of targeted metabolite profiling and sequential optimization method for discovery of chemical marker combination to identify the closely-related plant species
Integration of targeted metabolite profiling and sequential optimization method for discovery of chemical marker combination to identify the closely-related plant species
复制标题
整合靶向代谢物分析和序贯优化方法来发现化学标记组合，以识别密切相关的植物物种
DOI：
10.1016/j.phymed.2019.152829
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发表时间：
2019-08-01
期刊：
影响因子：
7.9
通讯作者：
Yang Hua
中科院分区：
文献类型：
--
作者：
Gao Wen;Liu Ke;Yang Hua
背景：基于特征成分的草药质量控制是一个重要趋势。尽管植物代谢组学为物种分类提供了强大的工具，但所发现的标记在实际应用中通常受到限制。为了快速发现有效的标记组合，我们提出了一种结合靶向代谢物分析和序贯优化方法的策略。方法：该策略包括：（1）通过基质固相分散（MSPD）结合液相色谱-串联质谱（LC-MS/MS）对目标代谢物进行定向富集和化学分析。 (2)构建了基于偏最小二乘判别分析(PLS-DA)的有效标记组合的顺序筛选，用于各种物种预测。以5种忍冬属植物及其特征代谢产物皂苷为例。结果：共鉴定出19种皂苷，基于MSPD富集并通过LC-MS/MS对5种忍冬属花蕾中的12种主要有效皂苷进行定量。经过 3 次基于 PLS-DA 的筛选，发现了由大花花苷 B、地壳糖苷 B 和 α-常春藤素组成的组合作为 5 种类似忍冬花分类的有效化学标记。 结论：我们的研究为选择类似草药评估的实用标记组合提供了一种有效且适用的方法。
Background: Quality control of herbal medicines based on characteristic components is an important trend. Although the plant metabolomics provide a powerful tool for species classification, the discovered marker is usually limited in practical application. For rapid discovery of efficient marker combination, we proposed a strategy integrating targeted metabolite profiling and sequential optimization method.Methods: This strategy included: (1) directional enrichment and chemical profiling of targeted metabolites by matrix solid phase dispersion (MSPD) combined with liquid chromatography-tandem mass spectrometry (LC-MS/MS). (2) Partial least squares discrimination analysis (PLS-DA)-based sequential screening of efficient marker combination was constructed for various species predictions. Five Lonicera species and their characteristic metabolites, sponins, were taken as a case study.Results: A total of 19 saponins were identified, and 12 major and available saponins were enriched based on MSPD and quantified by LC-MS/MS in 5 Lonicera species flower buds. Followed by 3 runs of PLS-DA-based screening, a combination consisting of macranthoidin B, dipsacoside B and alpha-hederin was discovered as the effective chemical marker for 5 analogous Lonicera flower classification.Conclusion: Our study provides an effective and applicable approach to select the practical marker combination for the assessment of analogical herb medicines.