基于植物代谢组学方法的马钱子油炸炮制前后化学差异研究

为对马钱子油炸炮制前后提取物的差异进行定性、定量研究,实验采用超高效液相色谱-四级杆串联飞行时间质谱(UPLC-Q-TOF-MS)采集数据,结合Peak View软件、在线数据库等进行化学成分定性分析,并采用Analyst工作站进行主要化学成分的含量测定,将炮制前后离子数据导入SIMCA-P软件,建立OPLS-DA数学模型,进行差异性次生代谢产物分析。结果显示马钱子的成分类别主要包括生物碱、糖苷、脂肪酸酯和醇类,其中检测到已知成分共29个,未曾报道的化合物达13个;OPLS-DA分析中最显著的化合物是士的宁、麦芽糖、Dattelic acid和油酸;定量分析结果表明油炸炮制后马钱子碱和士的宁的含量有所降低,且士的宁的下降幅度略大于马钱子碱,均能达到《中国药典》2015年版马钱子项下要求。本研究通过多种手段探讨了油炸炮制前后马钱子化学成分变化情况,结果表明炮制方法、减毒效果及化学成分间存在相关性,为马钱子炮制机理解释及药效物质基础阐明提供新的思路和数据参考。

Study on the chemical difference between raw semen strychni and frying semen strychni based on plant metabolomics

Qualitatively and quantitatively research the extracts of semen strychni before and after frying processing.Data acquisition by UPLC-Q-TOF-MS,and we made qualitative analysis of chemical composition in combination with PeakView software,online database,etc.,used analyst workstation to determine the content of main chemical components,then the ion data before and after processing were imported into SIMCA-P software to establish the OPLS-DA mathematical model to carry out differential secondary metabolite analysis.The results showed that the constituents of semen strychni included alkaloids,glycosides,fatty acids and alcohols,29 of the components were already known,while 13 compounds have not been reported.12 differential biomarkers were identified by OPLS-DA analysis,the most prominent compounds are strychnine,maltose,dattelic acid and oleic acid.Quantitative analysis showed that the content of brucine and strychnine decreased after frying processing,and the reduction of strychnine is slightly larger than brucine,but it still meets the requirements of Pharmacopoeia.We explored the changes in the chemical compositions of semen strychni before and after the frying processing by various means in the study,the results showed that there was a correlation among processing methods,detoxification effect and chemical composition,and provide new ideas and data references for the explanation of the mechanization of semen strychni and the clarification of the pharmacodynamics.