罗欧咳祖帕复方的血清药物化学研究

Serum pharmacochemistry of Loki zupa compound

目的运用中药血清药物化学方法初步分析罗欧咳祖帕复方的入血成分,初步揭示罗欧咳祖帕复方在体内的药效物质基础。方法采用UHPLC-QE-MS技术,利用XCMS以及SIMCA软件对数据进行基础分析,对第一主成分进行OPLS-DA建模分析,并利用7折交叉验证和置换检验对模型有效性进行验证,筛选出显著差异的代谢物,从而初步鉴定罗欧咳祖帕复方中的主要入血成分。结果通过对罗欧咳祖帕复方提取物、含药血清、空白血清的总离子流图和二级碎片离子信息进行对比分析,在罗欧咳祖帕复方给药大鼠血清中分析推测得到28个移行成分,包括18个原形成分和10个代谢产物。结论初步鉴定出罗欧咳祖帕复方在血清中的移行成分,提示这些入血成分可能是罗欧咳祖帕复方在体内发挥作用的活性成分,有助于阐明其药效物质基础和作用机制。

Objective To analyze the constituents of Loki zupa compound absorbed into the blood by serum pharmacochemical method in traditional Chinese medicine,and to reveal the pharmacological material basis of Loki zupa compound in vivo.Methods Constituents absorbed into the blood were rapidly identified by UHPLC-QE-MS.Basic data analysis and first principal component OPLS-DA modeling analysis were conducted and the effectiveness of the model was verified by 7-fold cross validation and permutation test.The constituents were analyzed by XCMS and SIMCA software,and the main constituents of Loki zupa compound absorbed into the blood were identified.Results After comparing the total ion flow diagram and secondary fragment ion information of Loki zupa compound extract,medicated serum and blank serum,totally 28 transitional components absorbed into the blood were detected in the serum of rats administered Loki zupa compound administered rats,18 of which were prototype constituents and the other 10 were metabolites.Conclusion The transitional components of Loki zupa compound in the rat serum are identified,suggesting that these constituents are active in Loki zupa compound in vivo,and help clarify the pharmacodynamic material basis and mechanism.