Three-dimensional Database Searching of Bioactive Compounds and Their Application.

• Kurogi Yasuhisa

  Otsuka Pharmaceutical Factory, Inc., Nutrition Research Institute, Medicinal Che.mistry Laboratory

Bibliographic Information

Other Title

• 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
• ヤクブツ セイリ カッセイ ブッシツ ノ 3ジゲン データベース ケンサク ト ソノ オウヨウレイ

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

  The Society of Synthetic Organic Chemistry, Japan

Keywords

• 3D database searching
• pharmacophore
• drug discovery
• lead evolution

Details

• CRID: 1390282680253248768
• NII Article ID: 10008820946
• NII Book ID: AN0024521X
• DOI: 10.5059/yukigoseikyokaishi.58.676
• ISSN: 18836526
• ISSN: 00379980
• NDL BIB ID: 5397682
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I5397682
• Text Lang: ja
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• Abstract License Flag: Disallowed