Chang-Kang-Fang(CKF)formula,a Traditional Chinese Medicine(TCM)prescription,has been widely used for the treatment of irritable bowel syndrome(IBS).However,its potential material basis and underlying mechanism remain ...Chang-Kang-Fang(CKF)formula,a Traditional Chinese Medicine(TCM)prescription,has been widely used for the treatment of irritable bowel syndrome(IBS).However,its potential material basis and underlying mechanism remain elusive.Therefore,this study employed an integrated approach that combined ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-Q/TOF-MS)with network pharmacology to systematically characterize the phytochemical components and metabolites of CKF,as well as elucidating its underlying mechanism.Through this comprehensive analysis,a total of 150 components were identified or tentatively characterized within the CKF formula.Notably,six N-acetyldopamine oligomers from Cicadae Periostracum and eight resin glycosides from Cuscutae Semen were characterized in this formula for the first time.Meanwhile,149 xenobiotics(58 prototypes and 91 metabolites)were detected in plasma,urine,feces,brain,and intestinal contents,and the in vivo metabolic pathways of resin glycosides were elaborated for the first time.Furthermore,network pharmacology and molecular docking analyses revealed that alkaloids,flavonoids,chromones,monoterpenes,N-acetyldopamine dimers,p-hydroxycinnamic acid,and Cus-3/isomer might be responsible for the beneficial effects of CKF in treating IBS,and CASP8,MARK14,PIK3C,PIK3R1,TLR4,and TNF may be its potential targets.These discoveries offer a comprehensive understanding of the potential material basis and clarify the underlying mechanism of the CKF formula in treating IBS,facilitating the broader application of CKF in the field of medicine.展开更多
目的建立芪柏颗粒的UPLC特征图谱,为评价不同批次成品的质量提供参考。方法采用ACQUITY UPLC HSS T3 C18(100 mm32.1 mm,1.8μm)作为色谱柱,以乙腈-0.3%甲酸水为流动相,梯度洗脱,柱温28℃,波长254 nm,体积流量0.4 m L/min。结果建立芪...目的建立芪柏颗粒的UPLC特征图谱,为评价不同批次成品的质量提供参考。方法采用ACQUITY UPLC HSS T3 C18(100 mm32.1 mm,1.8μm)作为色谱柱,以乙腈-0.3%甲酸水为流动相,梯度洗脱,柱温28℃,波长254 nm,体积流量0.4 m L/min。结果建立芪柏颗粒的UPLC特征图谱,12批不同批次成品相似度均>0.92,共标定46个共有峰,筛选其中25个共有峰与单味药材进行比对并归属,其中4个共有峰来源牡丹皮,4个共有峰来源甘草,2个共有峰来源炙黄芪,2个共有峰来源墨旱莲,1个共有峰来源卷柏,12个共有峰未进行归属。结论成功建立芪柏颗粒的UPLC特征图谱分析方法,其精密度、重复性和稳定性良好,可为芪柏颗粒质量标准提升作参考。展开更多
基金supported by National Key Research and Development Program of China(No.2017ZX 09301005).
文摘Chang-Kang-Fang(CKF)formula,a Traditional Chinese Medicine(TCM)prescription,has been widely used for the treatment of irritable bowel syndrome(IBS).However,its potential material basis and underlying mechanism remain elusive.Therefore,this study employed an integrated approach that combined ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-Q/TOF-MS)with network pharmacology to systematically characterize the phytochemical components and metabolites of CKF,as well as elucidating its underlying mechanism.Through this comprehensive analysis,a total of 150 components were identified or tentatively characterized within the CKF formula.Notably,six N-acetyldopamine oligomers from Cicadae Periostracum and eight resin glycosides from Cuscutae Semen were characterized in this formula for the first time.Meanwhile,149 xenobiotics(58 prototypes and 91 metabolites)were detected in plasma,urine,feces,brain,and intestinal contents,and the in vivo metabolic pathways of resin glycosides were elaborated for the first time.Furthermore,network pharmacology and molecular docking analyses revealed that alkaloids,flavonoids,chromones,monoterpenes,N-acetyldopamine dimers,p-hydroxycinnamic acid,and Cus-3/isomer might be responsible for the beneficial effects of CKF in treating IBS,and CASP8,MARK14,PIK3C,PIK3R1,TLR4,and TNF may be its potential targets.These discoveries offer a comprehensive understanding of the potential material basis and clarify the underlying mechanism of the CKF formula in treating IBS,facilitating the broader application of CKF in the field of medicine.
文摘目的建立芪柏颗粒的UPLC特征图谱,为评价不同批次成品的质量提供参考。方法采用ACQUITY UPLC HSS T3 C18(100 mm32.1 mm,1.8μm)作为色谱柱,以乙腈-0.3%甲酸水为流动相,梯度洗脱,柱温28℃,波长254 nm,体积流量0.4 m L/min。结果建立芪柏颗粒的UPLC特征图谱,12批不同批次成品相似度均>0.92,共标定46个共有峰,筛选其中25个共有峰与单味药材进行比对并归属,其中4个共有峰来源牡丹皮,4个共有峰来源甘草,2个共有峰来源炙黄芪,2个共有峰来源墨旱莲,1个共有峰来源卷柏,12个共有峰未进行归属。结论成功建立芪柏颗粒的UPLC特征图谱分析方法,其精密度、重复性和稳定性良好,可为芪柏颗粒质量标准提升作参考。
