Ding Mingya, Jiang Yan, Yu Xiean, Zhang Dong, Li Jin, Wang Hui, Shen Jiayuan, Gao Xiu-Mei, Chang Yan-Xu
Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China.
Tianjin Key Laboratory of Phytochemistry and Pharmaceutical Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin, China.
Front Pharmacol. 2018 Jun 27;9:691. doi: 10.3389/fphar.2018.00691. eCollection 2018.
Natural products, especially for traditional Chinese medicines (TCMs), are of great importance to cure diseases. Yet it was hard to screen the influential quality markers for monitoring the quality. A simple and comprehensive strategy was developed and validated to screen for the combinatorial quality markers for precise quality evaluation and discrimination of natural products. In this study, Pollen Typhae (PT) and it's processed products carbonized PT were selected as the representative case. Firstly, metabolomics data of 49 batches crude PT and carbonized PT was obtained by ultra high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF/MS). Then, metabolomics approaches were performed to screen for the potential markers that lead to the quality difference. Finally, chemometric methods were used to validate the accuracy of combinatorial quality markers. Thus, 42 compounds were identified from PT, 5 markers (isorhamnetin-3-O-(2-α-L-rhamnosyl)-rutinoside, isorhamnetin-3-O-neohesperidoside, astragalin, kaempferol and umbelliferone) were successfully screened, identified, quantified and regarded as combinatorial quality markers for precise quality evaluation of crude and carbonized PT. It was demonstrated that the established comprehensively strategy provide an efficient tool for precise quality evaluation of natural products from the whole.
天然产物，尤其是中药，对于疾病治疗至关重要。然而，筛选用于质量监测的有影响力的质量标志物却很困难。我们开发并验证了一种简单而全面的策略，以筛选组合质量标志物，用于天然产物的精确质量评估和鉴别。在本研究中，蒲黄（PT）及其炮制品蒲黄炭被选为代表性案例。首先，通过超高效液相色谱-四极杆飞行时间质谱联用（UHPLC-Q-TOF/MS）获得了49批次粗蒲黄和蒲黄炭的代谢组学数据。然后，采用代谢组学方法筛选导致质量差异的潜在标志物。最后，运用化学计量学方法验证组合质量标志物的准确性。由此，从蒲黄中鉴定出42种化合物，成功筛选、鉴定、定量了5种标志物（异鼠李素-3-O-（2-α-L-鼠李糖基）-芸香糖苷、异鼠李素-3-O-新橙皮糖苷、紫云英苷、山柰酚和伞形花内酯），并将其视为粗蒲黄和蒲黄炭精确质量评估的组合质量标志物。结果表明，所建立的综合策略为从整体上精确评估天然产物质量提供了一种有效工具。
