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Absorption prediction from physicochemical parameters.

Krämer1

  • 1Division of Physiology, GKT School of Biomedical Sciences, King's College London, Strand, London, UK WC2R 2LS.

Pharmaceutical Science & Technology Today
|September 2, 1999
PubMed
Summary

Predicting drug absorption is crucial for drug design. This review covers models for predicting intestinal absorption and blood-brain barrier passage, moving beyond traditional partition coefficients.

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Area of Science:

  • Pharmacology and Drug Development
  • Computational Chemistry
  • Biopharmaceutics

Background:

  • Modern drug design requires predicting not only pharmacological activity but also absorption and distribution.
  • In vivo barrier permeabilities, including intestinal absorption and blood-brain barrier (BBB) passage, are critical considerations in new drug development.
  • Historically, n-octanol-water partition coefficients were primary tools for absorption prediction.

Purpose of the Study:

  • To review selected models for predicting drug absorption.
  • To emphasize models relevant to intestinal absorption.
  • To highlight the evolution from traditional partition coefficients to modern physicochemical parameters.

Main Methods:

  • Literature review of absorption-prediction models.
  • Focus on models utilizing basic physicochemical parameters.
  • Discussion of models for predicting membrane permeability and lipophilicity.

Main Results:

  • Physicochemical parameters have become established for predicting membrane permeability and lipophilicity.
  • Selected absorption-prediction models are outlined.
  • Emphasis is placed on models relevant to intestinal absorption prediction.

Conclusions:

  • Absorption prediction is a key aspect of modern drug design.
  • Physicochemical parameters offer advanced methods for predicting drug absorption compared to older methods.
  • Further development and application of these models are essential for efficient drug discovery.

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