State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, No. 38 Xueyuan Road, Beijing 100191, China.
School of Pharmacy, Henan University of Chinese Medicine, No. 156 Jinshui East Road, Zhengzhou 450046, China.
Molecules. 2022 Oct 26;27(21):7267. doi: 10.3390/molecules27217267.
Nardosinone, a sesquiterpene peroxide, is one of the main active constituents of the ethnomedicine Nardostachyos Radix et Rhizoma, and it has many bioactivities, such as antiarrhythmia and cardioprotection. To elucidate its in vivo existence forms, its metabolism is first studied using mice. All urine and feces are collected during the six days of oral dosing of nardosinone, and blood is collected at one hour after the last dose. Besides, to validate some metabolites, a fast experiment is performed, in which nardosinone was orally administered and the subsequent one-hour urine is collected and immediately analyzed by UHPLC-Q-TOF-MS. In total, 76 new metabolites are identified in this study, including 39, 51, and 12 metabolites in urine, plasma, and feces, respectively. Nardosinone can be converted into nardosinone acid or its isomers. The metabolic reactions of nardosinone included hydroxylation, hydrogenation, dehydration, glucuronidation, sulfation, demethylation, and carboxylation. There are 56 and 20 metabolites with the structural skeleton of nardosinone and nardosinone acid, respectively. In total, 77 in vivo existence forms of nardosinone are found in mice. Nardosinone is mainly excreted in urine and is not detected in the feces. These findings will lay the foundation for further research of the in vivo effective forms of nardosinone and Nardostachyos Radix et Rhizoma.
重楼酮是倍半萜过氧化物,是民族药重楼根茎的主要活性成分之一,具有抗心律失常和心脏保护等多种生物活性。为阐明其体内存在形式,首先在小鼠体内研究其代谢。在口服重楼酮的六天内收集所有尿液和粪便,并在最后一次给药后一小时采集血液。此外,为了验证一些代谢物,进行了快速实验,其中口服给予重楼酮,并立即通过 UHPLC-Q-TOF-MS 分析随后一小时的尿液。本研究共鉴定出 76 种新代谢物,分别在尿液、血浆和粪便中鉴定出 39、51 和 12 种代谢物。重楼酮可转化为重楼酮酸或其异构体。重楼酮的代谢反应包括羟化、氢化、脱水、葡萄糖醛酸化、硫酸化、去甲基化和羧化。分别有 56 种和 20 种代谢物具有重楼酮和重楼酮酸的结构骨架。在小鼠体内共发现 77 种重楼酮的存在形式。重楼酮主要通过尿液排泄,粪便中未检出。这些发现将为进一步研究重楼酮和重楼根茎的体内有效形式奠定基础。