薬物・生理活性物質の3次元データベース検索とその応用例  [in Japanese] Three-dimensional Database Searching of Bioactive Compounds and Their Application  [in Japanese]

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Author(s)

    • 黒木 保久 KUROGI Yasuhisa
    • 株式会社大塚製薬工場栄養研究所医薬化学研究室 Otsuka Pharmaceutical Factory, Inc., Nutrition Research Institute, Medicinal Chemistry Laboratory

Abstract

Recent advances in computer technology and dramatic cost reductions for physical memory and operation speed now allow the ability to access the millions of compounds needed to search and analyze three-dimensional (3D) structural as well as conformational information. As a result, 3D database searching methods are considerably useful in finding and designing novel biologically active compounds. In the presence of a protein structure, 3D databases are searched directly for potential compounds fitting a known receptor binding site. In the absence of a protein structure, 3D databases can be searched indirectly, fitting known lead compounds on the basis of pharmacophore. As reviewed in this article, 3D database searching can provide valuable information to medicinal chemists, offering an expanding range of tools to enhance the lead drug discovery and evolution process.

Journal

  • Journal of Synthetic Organic Chemistry, Japan

    Journal of Synthetic Organic Chemistry, Japan 58(7), 676-682, 2000-07-01

    The Society of Synthetic Organic Chemistry, Japan

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Codes

  • NII Article ID (NAID)
    10008820946
  • NII NACSIS-CAT ID (NCID)
    AN0024521X
  • Text Lang
    JPN
  • Article Type
    REV
  • ISSN
    00379980
  • NDL Article ID
    5397682
  • NDL Source Classification
    ZP11(科学技術--化学・化学工業--有機化学・有機化学工業)
  • NDL Call No.
    Z17-256
  • Data Source
    CJP  NDL  J-STAGE 
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