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Development and virtual screening of target libraries.

Didier Rognan1

  • 1Bioinformatics of the Drug, CNRS, UMR 7175, 74 route du Rhin, F-67400 Illkirch, France. didier.rognan@pharma.u-strasbg.fr

Journal of Physiology, Paris
|February 7, 2006
PubMed
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In silico screening and 3D structural data enable navigation of the proteome to identify drug targets. This review highlights advances in target libraries for uncovering chemogenomic insights.

Area of Science:

  • Computational chemistry and structural biology.
  • Drug discovery and cheminformatics.

Background:

  • Advances in in silico screening technologies and 3D structural data of macromolecular targets.
  • The growing need for efficient methods to identify therapeutic targets.

Purpose of the Study:

  • To review recent in-house developments in creating and utilizing target libraries.
  • To demonstrate how these libraries can be browsed for chemogenomic information.

Main Methods:

  • Development of specialized in-house target libraries.
  • Utilizing 3D structural information for target identification.
  • In silico screening methodologies.

Main Results:

  • Successful creation of browsable target libraries.

Related Experiment Videos

  • Demonstration of navigating the structural proteome to identify potential drug targets.
  • Unraveling of chemogenomic information through library browsing.

    • Conclusions:

    • In silico screening and 3D structural data are powerful tools for target identification.
    • Developed target libraries offer a valuable resource for exploring chemogenomic space.
    • These approaches facilitate the discovery of novel therapeutic targets.