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Summary

Intrinsic membrane permeability (P₀) is crucial for understanding molecule transport. This study analyzed apparent permeability (Papp) data, successfully extracting reliable P₀ values for 77 compounds, highlighting limitations in aqueous boundary layers.

Keywords:
Aqueous boundary layerCaco-2, MDCKConcentration-shiftIntrinsic membrane permeability

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Area of Science:

  • Pharmacokinetics and Drug Discovery
  • Membrane Transport Phenomena
  • Computational Biology

Background:

  • Intrinsic membrane permeability (P₀) is a key parameter for modeling molecular transport across biological membranes, offering more reliable insights than apparent permeability (Papp).
  • Extracting P₀ can be challenging when other factors, such as aqueous boundary layers, significantly impede transport.
  • Accurate P₀ values are essential for consistent experimental interpretation and predictive modeling.

Purpose of the Study:

  • To analyze apparent permeability (Papp) data from Caco-2/MDCK cell monolayers to extract intrinsic membrane permeability (P₀) values.
  • To identify and account for various factors limiting P₀ extractability, including aqueous boundary layers, paracellular transport, and pH-dependent effects.
  • To establish a reliable dataset of P₀ values for future modeling efforts in membrane transport.

Main Methods:

  • Systematic analysis of Papp values from 69 literature references, encompassing 318 compounds.
  • Evaluation of potential transport limitations: aqueous boundary layers, paracellular pathways, recovery issues, active transport, proton flux, and sink conditions.
  • Inclusion of recently described concentration-shift effects due to pH variations in aqueous layers for stricter P₀ extraction criteria.

Main Results:

  • Successfully extracted 77 reliable P₀ values, representing approximately one-quarter of the total compounds analyzed.
  • Identified that about half of the analyzed compounds were limited by diffusion through aqueous boundary layers.
  • The developed approach excluded more compounds than existing datasets due to stricter criteria and consideration of pH-dependent effects.

Conclusions:

  • The study provides a rigorously curated and reliable dataset of intrinsic membrane permeability (P₀) values.
  • The findings underscore the significant impact of aqueous boundary layers on measured permeability in cell-based assays.
  • This work offers a valuable resource for advancing the accuracy and consistency of molecular transport modeling.