Advanced in-silico drug screening to achieve high hit ratio

DOI 2 Citations 10 References Open Access

Bibliographic Information

Other Title
  • 創薬の効率を飛躍的に高めた化合物スクリーニング計算
  • — Development of 3D-compound database —

Search this article

Description

Every year, several million compounds for drug screening are released by numerous vendors around the world. The information provided on these compounds is in the form of their two-dimensional (2D) structures. We have developed a software system to generate a database of three-dimensional (3D) structures of these compounds and have distributed this database. We have also developed a database of protein-compound docking scores of 180 proteins with respect to these millions of compounds. These databases make it possible to identify new active compounds for many drug targets.

Journal

  • Synthesiology English edition

    Synthesiology English edition 2 (1), 64-72, 2009

    National Institute of Advanced Industrial Science and Technology

Citations (2)*help

See more

References(10)*help

See more

Keywords

Details 詳細情報について

  • CRID
    1390282680276456320
  • NII Article ID
    130004548104
  • DOI
    10.5571/syntheng.2.64
  • ISSN
    18832318
    18830978
  • Text Lang
    en
  • Data Source
    • JaLC
    • Crossref
    • CiNii Articles
    • OpenAIRE
  • Abstract License Flag
    Disallowed

Report a problem

Back to top