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Related Experiment Videos

Isotope or mass encoding of combinatorial libraries

H M Geysen1, C D Wagner, W M Bodnar

  • 1Glaxo Wellcome, Inc., Research Triangle Park, NC 27709, USA. hmg5823@glaxo.com

Chemistry & Biology
|August 1, 1996
PubMed
Summary
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This study introduces a novel mass spectrometry-based encoding method for combinatorial chemistry. This approach facilitates rapid identification of active compounds and determination of structure-activity relationships in large chemical libraries.

Area of Science:

  • Medicinal Chemistry
  • Analytical Chemistry
  • Organic Chemistry

Background:

  • Combinatorial chemistry and solid-phase synthesis accelerate lead compound discovery.
  • Libraries of small organic molecules are synthesized on resin beads.
  • A key challenge is efficiently encoding and decoding compounds in large libraries.

Purpose of the Study:

  • To develop a facile encoding and decoding methodology for large combinatorial libraries.
  • To enable automated analysis of chemical libraries.
  • To facilitate the extraction of structure-activity relationship (SAR) information.

Main Methods:

  • Utilizing mass spectrometry to analyze isotopic distributions of molecular tags.
  • Attaching molecular tags to resin beads or linkers during synthesis.

Related Experiment Videos

  • Encoding tags using controlled ratios of stable isotopes.

    • Main Results:

    • Demonstration of several encoding schemes using mass spectrometry.
    • Tags range from single to complex isotopic distributions.
    • The developed coding scheme is suitable for large encoded combinatorial libraries.

    Conclusions:

    • A novel coding scheme for combinatorial libraries is presented.
    • The code can be cleaved and analyzed by mass spectrometry automatically.
    • This mass-encoding scheme can expedite the determination of full SAR.