Profiling and analysis of multiple constituents in Baizhu Shaoyao San before and after processing by stir-frying using UHPLC/Q-TOF-MS/MS coupled with multivariate statistical analysis
Profiling and analysis of multiple constituents in Baizhu Shaoyao San before and after processing by stir-frying using UHPLC/Q-TOF-MS/MS coupled with multivariate statistical analysis
复制标题
UHPLC/Q-TOF-MS/MS 结合多变量统计分析对白术芍药散炒制前后的多种成分进行分析
DOI：
10.1016/j.jchromb.2018.03.003
复制
发表时间：
2018-04-15
影响因子：
3
通讯作者：
Shen, Lin
中科院分区：
文献类型：
--
作者：
Xu, Yangyang;Cai, Hao;Shen, Lin
白术芍药散是著名的中药方剂，临床上广泛用于治疗腹泻疼痛、肠道炎症、肠易激综合征等。根据临床用药要求，白术、白芍、陈皮三味药必须采用特定的炒制方法进行炮制。根据中医经典理论，补肾活血方经炮制后，疗效显著。一般认为，炮制过程引起的药物内部化学基础的变化是导致疗效变化的主要原因。为了解炮制后BSS中化学成分的相应变化，阐明其疗效变化的物质基础，建立了优化的正负离子模式超高效液相色谱-四极杆/飞行时间质谱联用法，并结合多元统计分析。结果表明，从生品和炮制品中共鉴定出186种化合物，经主成分分析和t检验，共鉴定出62种差异显著的标志化合物。与生BSS相比，炮制BSS中23种化合物含量显著降低，39种化合物含量显著增加。根据实验结果，对某些变化化合物的转化机理进行了适当的推断。此外，具有极显著差异的化合物可能会加强整个草药配方的效果。
Baizhu Shaoyao San (BSS) is a famous traditional Chinese medicinal formula widely used for the treatment of painful diarrhea, intestinal inflammation, and diarrhea-predominant irritable bowel syndrome. According to clinical medication, three medicinal herbs (Atractylodis Macrocephalae Rhizoma, Paeoniae Radix Alba, and Citri Reticulatae Pericarpium) included in BSS must be processed using some specific methods of stir-frying. On the basis of the classical theories of traditional Chinese medicine, the therapeutic effects of BSS would be significantly enhanced after processing. Generally, the changes of curative effects mainly result from the variations of inside chemical basis caused by the processing procedure. To find out the corresponding changes of chemical compositions in BSS after processing and to elucidate the material basis of the changed curative effects, an optimized ultra-high-performance liquid chromatography-quadrupole/time-of-flight mass spectrometry in positive and negative ion modes coupled with multivariate statistical analyses were developed. As a result, a total of 186 compounds were ultimately identified in crude and processed BSS, in which 62 marker compounds with significant differences between crude and processed BSS were found by principal component analysis and t-test. Compared with crude BSS, the contents of 23 compounds were remarkably decreased and the contents of 39 compounds showed notable increase in processed BSS. The transformation mechanisms of some changed compounds were appropriately inferred from the results. Furthermore, compounds with extremely significant differences might strengthen the effects of the whole herbal formula.