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      Systematic analysis of the metabolites of Angelol B by UPLC-Q-TOF-MS after oral administration to rats

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          Abstract

          Angelicae Pubescentis Radix (APR), a widely used traditional Chinese medicine (TCM), is mainly used to treat rheumatism and headache diseases. Angelol B is one of the bioactive constituents of APR with significant anti-inflammatory activity. This paper is aimed to illustrate the metabolites of angelol B in vivo. To achieve this objective, a metabolomics approach based on a rapid and accurate UPLC-Q-TOF-MS method was used to detect the metabolites of Angelol B in rat. A gradient elution system (ACN and 0.1% formic acid water) equipped with an Agilent SB-C 18 column (1.8 μm, 2.1 mm × 50 mm) to complete the separation. Scanning area at m/z 100−800 operated on an electrospray ionization (ESI). The data were collected in both positive and negative ion mode and analyzed by the Masslynx 4.1 and SIMCA 13.0 software. A total of 31 metabolites including 20 phase І and 11 phase ІІ metabolites were identified. Their structure and fragmentation process were deduced based on the MS and MS/MS data. All of thirty-one metabolites are new compounds based on the search of SCI-Finder database.

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          Author and article information

          Journal
          CJNM
          Chinese Journal of Natural Medicines
          Elsevier BV
          1875-5364
          20 November 2019
          : 17
          : 11
          : 822-834
          Affiliations
          1 A school of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, China
          2 State Key Laboratory of Natural and Biomimetic Drugs, Department of Natural Medicines, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China
          3 Shandong Academy of Tranditional Chinese Medicine, Jinan 250014, China
          Author notes
          *Corresponding author: JIA Ling-Yun, E-mails: jialingyun2003@ 123456126.com ; YANG Xiu-Wei, xwyang@ 123456bjmu.edu.cn

          Δ These authors contributed equally to this work.

          These authors have no conflict of interest to declare.

          Article
          S1875-5364(19)30100-1
          10.1016/S1875-5364(19)30100-1
          Copyright © 2019 China Pharmaceutical University. Published by Elsevier B.V. All rights reserved.
          Funding
          Funded by: National Nature Science Foundation of China
          Award ID: 81503208
          Funded by: National Nature Science Foundation of China
          Award ID: 81403068
          Funded by: National Nature Science Foundation of China
          Award ID: 30672609
          Funded by: Beijing Municipal Natural Science Foundation
          Award ID: 7144219
          Funded by: National Key Technology R & D Program of China
          Award ID: 2011BAI07B08
          The work was supported by the National Nature Science Foundation of China (Nos. 81503208, 81403068, 30672609), Beijing Municipal Natural Science Foundation (No.7144219), and the National Key Technology R & D Program of China (No. 2011BAI07B08).
          Categories
          Research article

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