基于体内-体外物质组关联分析酸枣仁潜在效应物质

Investigation of the potentially effective components of Semen Ziziphi Spinosae based on “in vitro to in vivo” translation approach

建立UHPLC Q Exactive轨道离子阱高分辨质谱分析酸枣仁水提物体内外化学成分的方法。借助高分辨质谱仪提供的化合物精确相对分子质量,结合色谱保留时间、紫外吸收光谱和二级质谱等信息,在酸枣仁水提物中共鉴定和推断出25个化合物,其中12个黄酮化合物、8个三萜皂苷化合物、2个脂肪酸和3个生物碱,基本阐明了酸枣仁水提物中主要化学成分。通过体内-体外物质组关联,分析正常大鼠灌胃酸枣仁水提物后尿液中代谢物,共鉴定和推断出20个代谢物,包括16个原形化合物和4个代谢产物;并对体内成分镇静催眠作用的相关文献进行挖掘,初步遴选斯皮诺素、当药黄素、酸枣仁皂苷A和B为其发挥镇静催眠作用的潜在效应物质。为后期效应物质的进一步确证提供实验基础。

The study aims to investigate the effective components of Semen Ziziphi Spinosae（SZR） in nourishing the heart and tranquilizing the mind. A method of ultra high liquid chromatography（UHPLC） coupled with Q Exactive high resolution mass spectrometry（HR-MS） was developed. Based on the UV spectra,retention time and MS spectra,25 compounds of SZR extract were identified or tentatively characterized,including 12 flavonoids,8 triterpenoids saponins,2 fatty acid and 3 alakoids. The study illuminated the major chemical components. Twenty bioactive components were determined in rat urine after oral administration of SZR extract by ＂in vitro to in vivo＂ translation approach,including 16 prototype compounds and 4 metabolites. Spinosin,swertisin,jujuboside A and B were considered as the effective and active constituents in SZR of the sedative and hypnotic effects,which emodies characteristics of multiple components. It was beneficial exploration for searching the effective and active constituents of SZR in nourishing the heart and tranquilizing the mind.