背景:根霉(MR),dauricumdenispermumDC的干燥根茎。(半潜科),已经被用来治疗喉咙痛,肠炎,痢疾,和风湿性关节痛。尽管对其药理作用进行了广泛的研究,体外和体内的化学成分尚未得到彻底研究。
目的:建立一种高效的MR及其制剂中生物碱的快速分类和鉴别方法,以及口服MR后体内的代谢物。
方法:使用超高效液相色谱四极杆飞行时间质谱(UPLC-Q-TOF-MS)结合UNFI软件对MR的生物碱和吸收成分进行快速鉴定。此外,总结了MR中不同类型生物碱的特征性碎裂和中性损失,以实现生物碱的快速分类。
结果:在MR中明确或初步鉴定了总共55种成分。其中,在MR胶囊和片剂中发现了37和31种成分,分别。同时,在大鼠血浆中初步鉴定出109个化合物,尿液和粪便,包括55个原型和54个代谢物。加氢,羟基化,甲基化,葡萄糖醛酸和硫酸盐的结合是生物碱的主要代谢命运。
结论:建立的数据后处理策略可以大大提高结构识别效率。所得结果为进一步解释临床疗效奠定了基础,MR的作用机制和质量控制。
BACKGROUND: Menispermi Rhizoma (MR), the dried rhizome of Menispermum dauricum DC. (Menispermaceae), has been used to treat sore throat, enteritis, dysentery, and rheumatic arthralgia. Despite extensive research on its pharmacological effects, the chemical components in vitro and in vivo have not been thoroughly studied.
OBJECTIVE: To establish an efficient method for rapid classification and identification of alkaloids in MR and its preparations, as well as metabolites in vivo after oral administration of MR.
METHODS: Rapid identification of alkaloids and absorbed components of MR was performed using ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) coupled with UNIFI software. Moreover, the characteristic fragmentations and neutral losses of different types of alkaloids in MR were summarised to realise the rapid classification of alkaloids.
RESULTS: A total of 55 components were unambiguously or tentatively identified in MR. Among them, 37 and 31 components were found in MR capsules and tablets, respectively. Meanwhile, 109 compounds were tentatively identified in rat plasma, urine and faeces, including 55 prototypes and 54 metabolites. Hydrogenation, hydroxylation, methylation, glucuronic acid and sulphate conjugations were the dominating metabolic fates of alkaloids.
CONCLUSIONS: The data post-processing strategy established could greatly enhance the structural identification efficiency. The results obtained might lay the foundation for further interpretation of clinical effects, mechanism of action and quality control of MR.