基于UPLC-Q-TOF MS研究煨制对雷公藤化学成分的影响

雷公藤具有清热解毒、祛风通络、消肿止痛等功效,但其严重的毒副作用限制了临床应用。研究发现,雷公藤经200℃煨制后有显著的减毒增效作用。为阐明雷公藤煨制减毒增效的物质基础,提高雷公藤临床应用的安全性与有效性,本研究采用UPLC-Q-TOF MS结合主成分分析(PCA)法和正交偏最小二乘判别分析(OPLS-DA)法对雷公藤煨制后的化学成分变化进行统计,根据一级和二级质谱信息,结合数据库、文献以及对照品对照进行差异成分鉴定。结果表明,煨制后雷公藤中共有81种成分的含量变化显著,主要为生物碱,占69%。鉴定了其中35种成分,有26种成分含量降低,7种成分含量升高,新产生2种成分。煨制后,生物碱和雷公藤红素的含量变化显著,这两类成分均为雷公藤抗炎有效成分,且毒性较大。因此,生物碱和雷公藤红素的含量变化可能是雷公藤煨制减毒增效的物质基础。该研究可为研发新的抗类风湿性关节炎的先导化合物提供参考。

Changes of Chemical Constituents of Tripterygium wilfordii During Roasting Processing Based on UPLC-Q-TOF MS

Tripterygium wilfordii is a very excellent Chinese medicine for the treatment of Rheumatoid arthritis (RA), while its clinical applications are confined by its severe side effects. Previous investigation indicated that roasting processing in an oven at 200 ℃ can not only significantly reduce the toxicity but also enhance the therapeutic efficacy of Tripterygium Wilfordii. In order to disclose the rationality of roasting processing, improve the safety and effectiveness of Tripterygium wilfordii in clinical application and obtain excellent anti-inflammatory leader compounds, the UPLC-Q-TOF MS method was used to analyze the two groups, which were untreated and processed Tripterygium wilfordii groups. Data were processed by principal component analysis (PCA) and orthogonal partial least squared discriminant analysis (OPLS-DA) to find the difference between two groups. The accurate m/z values of Q-TOF MS, MS² fragments were applied to constituent identification. The results indicated that 81 constituents had significant differences between two groups. The structures of 35 compounds were identified, of which the contents of 26 constituents including celastrol and celafurine were decreasing, while the contents of 7 constituents including 1-desacetylwilfordine were increasing, meanwhile two new components were occurring. Of the 81 components, alkaloids accounted for 69%, and triterpenes accounted for 12%. The result indicated that celastrol and many alkaloids significantly changed after processing, which were primary active and toxic components of Tripterygium wilfordii. The results indicated that thermal changes of alkaloids and celastrol probably play an important role in the toxicity reducing and efficacy enhancing of Tripterygium wilfordii under roasting processing.