English  |  正體中文  |  简体中文  |  Items with full text/Total items : 51258/86283 (59%)
Visitors : 8006910      Online Users : 55
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
Scope Tips:
  • please add "double quotation mark" for query phrases to get precise results
  • please goto advance search for comprehansive author search
  • Adv. Search
    HomeLoginUploadHelpAboutAdminister Goto mobile version
    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/25169


    Title: QSAR Analysis of the Lipid Peroxidation Inhibitory Activity with Structure and Energetics of 36 Flavonoids Derivatives
    Authors: 廖顯仁;張詠昇;林友鈞;楊玲玲;周玉?;王伯昌
    Contributors: 淡江大學化學學系
    Keywords: QSAR;PM3;Flavonoids;Antioxidant activity;Lipid peroxidation
    Date: 2006-12-01
    Issue Date: 2013-07-29 13:45:42 (UTC+8)
    Publisher: 臺北市:中國化學學會
    Abstract: The biological activity relationship of 36 flavonoid compounds was investigated using theoretical methods including quantitative structure activity relationships (QSAR) and quantum chemistry calculation. The results suggested that the 5 and/or 8 positions of the substituents of the hydroxyl group in the A ring and the 3’ and 4’ positions of substituents of the hydroxyl group in the B ring play an important role in flavonoid biological activity. This is probably due to the formation of an intra-molecular hydrogen bond. In addition, the electronic energy, electrostatic energy and bond energy may have an effect on the biological activity of flavonoids. Also, our analysis has shown that the presence of the 1,4 and 1,2-hydroquinone in the A ring and/or the B ring of flavonoids and the contribution of electronic energy, electrostatic energy and bond energy required consideration in the generation of the QSAR model and that the potential compounds will be predicted out of 36 flavonoids.
    Relation: Journal of the Chinese Chemical Society=中國化學會會誌 53(6), pp.1251-1261
    DOI: 10.1002/jccs.200600167
    Appears in Collections:[化學學系暨研究所] 期刊論文

    Files in This Item:

    File Description SizeFormat
    0009-4536_53(6)p1251-1261.pdf3719KbAdobe PDF245View/Open
    index.html0KbHTML149View/Open

    All items in 機構典藏 are protected by copyright, with all rights reserved.


    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - Feedback