天智颗粒的化学成分及入血成分定性分析

Analysis of chemical constituents of Tianzhi granules and their constituents absorbed into blood

目的定性分析天智颗粒的化学成分及入血成分,为阐明天智颗粒的药效物质基础提供参考。方法采用超高效液相色谱-电喷雾-四极杆-飞行时间-串联质谱(UPLC-ESI-Q-TOF-MS/MS)技术,以Agilent Eclipse Plus C_(18)为色谱柱,以0.5%甲酸水溶液-乙腈为流动相进行梯度洗脱,流速为0.3 mL/min,柱温为40℃,进样量为10μL。使用电喷雾离子源,在正离子模式下进行全扫描检测。运用MS-DIAL4.60工作站采集数据,通过与相关文献和SciFinder、PubChem、MassBank、TCMSP、TCM-ID等数据库进行对比,分析天智颗粒提取物(以50%甲醇为溶剂)的化学成分;对比空白血清、给药血清、天智颗粒提取物,分析入血成分。结果从天智颗粒中初步鉴定出100个化合物,包括46个黄酮类、8个有机酸类、8个生物碱类、6个萜类、6个香豆素类、2个醌类、1个甾体类、7个糖苷类和16个其他类化合物。在此基础上,初步鉴定出10个原型入血成分,其中金雀异黄酮、千层纸素A、白杨素-7-O-β葡萄糖醛酸苷、芹菜素-7-O-葡萄糖醛酸苷、汉黄芩苷、6-O-甲基黄芩苷为黄酮类,2-羟基喹啉和异柯楠碱为生物碱类,7-羟基香豆素为香豆素类,1-茚醇为其他类。结论2-羟基喹啉、7-羟基香豆素、金雀异黄酮、千层纸素A、异柯楠碱、白杨素-7-O-β葡萄糖醛酸苷、芹菜素-7-O-葡萄糖醛酸苷、汉黄芩苷、6-O-甲基黄芩苷可能是天智颗粒的药效物质。

OBJECTIVE To qualitatively analyze the chemical constituents from Tianzhi granules and their constituents absorbed into blood,and to provide reference for elucidating pharmacodynamic material basis of Tianzhi granules.METHODS UPLC-ESI-Q-TOF-MS/MS was adopted.The analysis was performed on an Agilent Eclipse Plus C_(18) column with mobile phase consisted of 0.5% formic acid solution-acetonitrile(gradient elution)at the flow rate of 0.3 mL/min;the column temperature was 40℃;the injection volume was 10μL.Mass spectrometry was applied for the qualitative analysis under positive ionization mode and ESI ion source.Data were collected with MS-DIAL4.60,and then chemical constituents of the extract from Tianzhi granule(by 0.5%methanol)were analyzed by comparing with relevant literature,SciFinder,PubChem,MassBank,TCMSP,TCM-ID and other databases.The blank serum,administered serum and Tianzhi granule extract were compared to analyze the constituents absorbed into the blood.RESULTS One hundred compounds were preliminarily identified from Tianzhi granules,including 46 flavonoids,8 organic acids,8 alkaloids,6 terpenes,6 coumarins,2 quinones,1 steroids,7 glycosides and 16 others.Based on it,10 prototype constituents absorbed into blood were identified preliminarily,including genistein,melatonin A,chrysin-7-O-β-glucuronide,apigenin-7-O-glucuronide,wogonin,6-O-methylbaicalin are flavonoids,2-hydroxyquinoline and isonacolline are alkaloids,7-hydroxycoumarin is coumarins,1-indanol is others.CONCLUSIONS 2-hydroxyquinoline,7-hydroxycoumarin,genistein,melatonin A,isonocolline,chrysin-7-O-β-glucuronide,apigenin-7-O-glucuronide,wogonin and 6-O-methylbaicalin may be the pharmacodynamic material basis of Tianzhi granules.