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Related Experiment Videos

Strategies for rapid deconvolution of combinational libraries: comparative evaluation using a model system

D A Konings1, J R Wyatt, D J Ecker

  • 1ISIS Pharmaceuticals, Carlsbad, California 92008, USA.

Journal of Medicinal Chemistry
|January 22, 1998
PubMed
Summary
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Simulations show that while overlapping subset pooling strategies reduce the number of tested subsets, they identify less active compounds compared to traditional methods in combinatorial libraries.

Area of Science:

  • Medicinal Chemistry
  • Combinatorial Chemistry
  • Computational Chemistry

Background:

  • Combinatorial libraries enable the synthesis and testing of numerous compounds.
  • Screening compound mixtures requires effective deconvolution procedures to identify active compounds.
  • Previous work established a model system for evaluating deconvolution strategies.

Purpose of the Study:

  • To extend model studies of deconvolution procedures for combinatorial libraries.
  • To simulate and compare overlapping subset pooling strategies against traditional methods.
  • To evaluate the efficacy of subtractive, bogus coin, and orthogonal pooling strategies.

Main Methods:

  • Utilized a previously developed model system for deconvolution procedure evaluation.

Related Experiment Videos

  • Simulated overlapping subset pooling strategies: subtractive, bogus coin, and orthogonal pooling.
  • Compared simulation results with traditional nonoverlapping iterative deconvolution strategies.

    • Main Results:

    • Overlapping subset strategies (subtractive, bogus coin, orthogonal pooling) required fewer tested subsets.
    • Compounds identified via overlapping subset simulations were not the most active.
    • Simulated overlapping subset strategies identified substantially less active compounds than traditional strategies.

    Conclusions:

    • Overlapping subset pooling strategies offer efficiency in terms of tested subsets.
    • These efficient strategies compromise the identification of highly active compounds in combinatorial libraries.
    • Traditional nonoverlapping iterative deconvolution strategies remain superior for identifying potent compounds.