Department of Pharmacy, Faculty of Science, National University of Singapore, 18 Science Drive 4, Singapore 117543, Singapore.
J Pharm Biomed Anal. 2010 May 1;52(1):43-50. doi: 10.1016/j.jpba.2009.12.005. Epub 2009 Dec 22.
The metabolic profiles of Panax notoginseng and its associated therapeutic values are critically affected by the duration of steaming. The time-dependent steaming effect of P. notoginseng is not well-characterized and there is also no official guideline on its duration of steaming. In this paper, a UHPLC/TOFMS-based metabolomic platform was developed for the qualitative profiling of multiparametric metabolic changes of raw P. notoginseng during the steaming process. Our method was successful in discriminating the differentially processed herbs. Both the unsupervised principal component analysis (PCA) score plot (R(2)X=0.664, Q(2) (cum)=0.622, and PCs=2) and the supervised partial least square-data analysis (PLS-DA) model (R(2)X=0.708, R(2)Y=0.461, and Q(2)Y=0.271) demonstrated strong classification and clear trajectory patterns with regard to the duration of steaming. The PLS-DA model was validated for its robustness via a prediction set, confirming that the UHPLC/TOFMS metabolic profiles of the raw and differentially steamed P. notoginseng samples were highly reproducible. Based on our method, the minimum durations of steaming for the maximum production of bioactive ginsenosides such as Rg3 and Rh2 were also predicted. Our novel time-dependent metabolic profiling approach represents the paradigm shift in the quality control of P. notoginseng products.
三七的代谢特征及其相关的治疗价值受到蒸制时间的显著影响。三七的蒸制时间依赖性效应尚未得到充分阐明，也没有关于其蒸制时间的官方指南。在本文中，我们开发了一种基于 UHPLC/TOFMS 的代谢组学平台，用于定性分析生三七在蒸制过程中多参数代谢变化。我们的方法成功地区分了不同处理的药材。无监督主成分分析（PCA）得分图（R²X=0.664，Q²（cum）=0.622，PCs=2）和有监督偏最小二乘数据分析（PLS-DA）模型（R²X=0.708，R²Y=0.461，Q²Y=0.271）均表现出强大的分类能力和清晰的轨迹模式，与蒸制时间有关。PLS-DA 模型通过预测集进行了稳健性验证，证实了生三七和不同蒸制三七样品的 UHPLC/TOFMS 代谢谱具有高度重现性。基于我们的方法，还预测了产生生物活性皂苷如 Rg3 和 Rh2 的最大产量所需的最小蒸制时间。我们的新型时间依赖性代谢分析方法代表了三七产品质量控制的范式转变。
