散寒化湿方的成分鉴定及体内成分分析

Component identification and analysis in vivo of Sanhan Huashi formula

散寒化湿颗粒是新获批的治疗新型冠状病毒感染的中药,散寒化湿方(Sanhan Huashi formula,SHF)是其中间体。该方由20味单味药组成,化学组成非常复杂。该研究应用UHPLC-Orbitrap Exploris 240质谱对该复方的化学成分,以及大鼠灌胃给药后的血浆、肺及粪便中的成分进行鉴定,并利用热图分析方法对化学成分的分布情况进行了表征。研究使用Waters ACQUITY UPLC BEH C18(2.1 mm×100 mm,1.7μm)色谱柱和0.1%甲酸水(A)-乙腈(B)流动相系统进行梯度洗脱。以电喷雾离子源(ESI),在正、负离子模式下采集数据。根据准分子离子与二级碎片离子,结合对照品质谱特征及文献报道的化合物信息,在SHF中共鉴定了80个成分,包括14个黄酮类化合物、13个香豆素类化合物、5个木脂素类化合物、12个含氮化合物、6个萜类化合物和30个其他类化合物。在血浆中鉴定出40个成分,肺脏中鉴定出27个成分,粪便中鉴定出56个成分。通过对SHF化学成分鉴定及大鼠给药后体内成分表征,为揭示其药效物质、阐明科学内涵奠定了研究基础。

Sanhan Huashi formula(SHF)is the intermediate of a newly approved traditional Chinese medicine(TCM)Sanhan Huashi Granules for the treatment of COVID-19 infection.The chemical composition of SHF is complex since it contains 20 single herbal medicines.In this study,UHPLC-Orbitrap Exploris 240 was used to identify the chemical components in SHF and in rat plasma,lung and feces after oral administration of SHF,and heat map was plotted for characterizing the distribution of the chemical components.Chromatographic separation was conducted on a Waters ACQUITY UPLC BEH C_(18)(2.1 mm×100 mm,1.7μm)using 0.1%formic acid(A)-acetonitrile(B)as mobile phases in a gradient elution.Electrospray ionization(ESI)source was used to acquire data in positive and negative mode.By reference to quasi-molecular ions and MS/MS fragment ions and in combination with MS spectra of reference substances and compound information in literature reports,80 components were identified in SHF,including 14 flavonoids,13 coumarins,5 lignans,12 amino-compounds,6 terpenes and 30 other compounds;40 chemical components were identified in rat plasma,27 in lung and 56 in feces.Component identification and characterization of SHF in vitro and in vivo lay foundations for disclosure of its pharmacodynamic substances and elucidation of the scientific connotation.