青花菜(SC),一种常用的中药,对类风湿关节炎有治疗作用,含有丰富的化学成分。目前,大多数研究主要集中在青藤碱,对其他生物碱的研究很少。在这项研究中,SC提取物中化合物的全面概况,和大鼠的生物样本(包括胆汁,尿液,粪便,和血浆)口服SC提取物后,通过超高效液相色谱与四极杆飞行时间质谱(UPLC/Q-TOF-MS)进行。总结了SC中六种主要生物碱的裂解模式和潜在的生物转化途径,和相应的特征产物离子,相对离子强度,获得了中性损失,从而实现了SC从体外到体内的复杂成分的快速分类和鉴定。因此,共鉴定出114种生物碱化合物,包括12种苄基生物碱,4异喹诺酮生物碱,32种阿帕酚生物碱,28原小檗碱生物碱,34种吗啡喃生物碱和4种有机胺生物碱。给大鼠服用SC提取物后,总共从大鼠血浆中鉴定出324种原型和代谢物,尿液,粪便和胆汁,包括81种阿帕酚,95原小檗碱,117个吗啉和31个苄基异喹啉。代谢物的主要类型是去甲基化,氢化,脱氢,醛化,氧化,甲基化,硫酸盐酯化,葡糖醛酸化,葡萄糖缀合,甘氨酸缀合,乙酰化,和二羟基化。总之,这种综合策略为化合物多样性和低丰度造成的不完全鉴定提供了一种额外的方法,SC抗类风湿性关节炎新的生物活性化合物的发现奠定了基础。
Sinomenii Caulis (SC), a commonly used traditional Chinese medicine for its therapeutic effects on rheumatoid arthritis, contains rich chemical components. At present, most studies mainly focus on sinomenine, with little research on other alkaloids. In this study, a comprehensive profile of compounds in SC extract, and biological samples of rats (including
bile, urine, feces, and plasma) after oral administration of SC extract was conducted via ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF-MS). The fragmentation patterns and potential biotransformation pathways of six main types of alkaloids in SC were summarized, and the corresponding characteristic product ions, relative ion intensity, and neutral losses were obtained to achieve rapid classification and identification of complex components of SC from in vitro to in vivo. As a result, a total of 114 alkaloid compounds were identified, including 12 benzyl alkaloids, 4 isoquinolone alkaloids, 32 aporphine alkaloids, 28 protoberberine alkaloids, 34 morphinan alkaloids and 4 organic amine alkaloids. After administration of SC extract to rats, a total of 324 prototypes and metabolites were identified from rat plasma, urine, feces and
bile, including 81 aporphines, 95 protoberberines, 117 morphinans and 31 benzylisoquinolines. The main types of metabolites were demethylation, hydrogenation, dehydrogenation, aldehydation, oxidation, methylation, sulfate esterification, glucuronidation, glucose conjugation, glycine conjugation, acetylation, and dihydroxylation. In summary, this integrated strategy provides an additional approach for the incomplete identification caused by compound diversity and low abundance, laying the foundation for the discovery of new bioactive compounds of SC against rheumatoid arthritis.