title: Study on the metabolites of isoalantolactone in vivo and in vitro by ultra performance liquid chromatography combined with Triple TOF mass spectrometry.
abstract: Isoalantolactone (IAL) is an active sesquiterpene naturally present in many vegetables, condiments and medicinal plants. In this study, an efficient strategy was developed for the identification of metabolites following the in vivo metabolism and in vitro biotransformation of IAL with rat intestinal bacteria utilizing ultra performance liquid chromatography combined with Triple TOF mass spectrometry (UPLC-Triple TOF-MS/MS). As a result, 46 metabolites including 34 novel sulfur-containing products were identified. The results demonstrated that IAL could undergo general metabolic reactions, including oxidation, hydration, hydrogenation, demethylation, cysteine conjugation and N-acetylcysteine conjugation, but the most noticeable characteristic of IAL metabolism was the H2S addition to the double bond between C-11 and C-13 and subsequent reactions to produce a series of novel sulfur-containing dimers. This is the first study of IAL metabolism in vivo, whose results provide novel and useful data for a better understanding of the safety and efficacy of IAL.
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China.
authors: Donggui
authors: D
authors: Yao
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China.
authors: Yufang
authors: Y
authors: Wang
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China; Institute of Chinese Integrative Medicine, Hebei Medical University, Shijiazhuang 050017, China. Electronic address: rainbowhuo@126.com.
authors: Changhong
authors: C
authors: Huo
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China.
authors: Yibing
authors: Y
authors: Wu
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China.
authors: Manli
authors: M
authors: Zhang
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China.
authors: Ligeng
authors: L
authors: Li
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China; School of Basic Medicine, Hebei Medical University, Hebei Key Laboratory of Forensic Medicine, Collaborative Innovation Center of Forensic Medical Molecular Identification, Shijiazhuang 050017, China.
authors: Qingwen
authors: Q
authors: Shi
authors: Graduate School of Environmental & Life Sciences, Okayama University, Okayama 700-8530, Japan.
authors: Hiromasa
authors: H
authors: Kiyota
authors: School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang 050017, China. Electronic address: shixiaowei@hebmu.edu.cn.
authors: Xiaowei
authors: X
authors: Shi
mesh_terms: D000818:Animals; D001711:Biotransformation; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D002853:Chromatography, Liquid / Q000379:methods*; D051381:Rats; D012717:Sesquiterpenes / Q000378:metabolism*; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D012717:Sesquiterpenes; C032787:isoalantolactone
keywords: Identification; Intestinal bacteria biotransformation; Isoalantolactone; Isoalantolactone (PubChem CID: 73285); Metabolites; UPLC-Triple TOF-MS/MS