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Molecular design and bioavailability.

Robert D Clark1, Philippa R N Wolohan

  • 1Tripos, Inc., St. Louis, MO 63144, USA. bclark@tripos.com

Current Topics in Medicinal Chemistry
|May 29, 2003
PubMed
Summary
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This review compiles oral bioavailability data for 107 compounds from medicinal chemistry literature. It highlights trends and challenges in drug development, including predictions for bioavailability.

Area of Science:

  • Medicinal Chemistry
  • Pharmacokinetics
  • Drug Discovery

Background:

  • Medicinal chemistry research frequently involves optimizing drug bioavailability.
  • Understanding oral bioavailability (F) is crucial for developing effective drug candidates.
  • Previous literature reviews have not exhaustively compiled recent bioavailability data.

Purpose of the Study:

  • To provide a comprehensive overview of medicinal chemistry studies focusing on bioavailability.
  • To compile and analyze reported absolute oral bioavailability (F) values.
  • To discuss challenges and future directions in bioavailability prediction.

Main Methods:

  • Systematic review of articles published in J. Med. Chem. from September 2001 to September 2002.
  • Compilation of quantitative oral bioavailability (F) data for 107 distinct compounds across 34 structural series.

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  • Inclusion of qualitative bioavailability data, clearance information, and prodrug design strategies.

    • Main Results:

    • An extensive dataset of absolute oral bioavailability (F) values was compiled.
    • Data included multiple species, offering cross-species comparisons.
    • Illustrative examples of clearance, prodrug design, and blood-brain barrier penetration were discussed.

    Conclusions:

    • The compilation offers a valuable resource for medicinal chemists.
    • Challenges in predicting and improving oral bioavailability persist.
    • Further advancements in in silico prediction methods are needed for drug development.