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Peer-reviewedCC BYACS Omega

From the Gut to the Brain: Modeling Intestinal Absorption and Assessing Blood–Brain-Barrier Permeability of Small-Molecule Drugs by IAM Chromatography

  • Stefan Simić1,2
  • Predrag Kalaba1
  • Judith Wackerlig1
  • Thierry Langer1
  1. 1Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria
  2. 2Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria
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Abstract

High Resolution Image Download MS PowerPoint Slide Designing small-molecule compounds and delivery systems capable of crossing the blood–brain barrier (BBB) remains a major obstacle in central nervous system (CNS) drug development. This challenge is compounded by the lack of robust, rapid, and cost-effective methods for early-stage assessment of BBB permeability. In this study, we addressed this gap by evaluating immobilized artificial membrane (IAM) chromatography as a high-throughput screening tool using a set of 50 marketed drugs with diverse chemical structures and well-documented CNS penetration profiles (both positive and negative). The strong correlation between IAM retention parameters ( k IAM ) and passive diffusion-based permeability confirms the ability of this biomimetic method to simulate drug–membrane interactions, establishing IAM chromatography as a reliable and economical alternative to more complex cell-based and in vivo models. Additionally, the integration of IAM data with in silico molecular descriptors yields a predictive model for intestinal absorption, offering a powerful tool for early permeability profiling in drug discovery.

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Cite

BibTeXRIS
BibTeX
@article{simic2026from,
  title = {{From the Gut to the Brain: Modeling Intestinal Absorption and Assessing Blood–Brain-Barrier Permeability of Small-Molecule Drugs by IAM Chromatography}},
  author = {Stefan Simić and Predrag Kalaba and Judith Wackerlig and Thierry Langer},
  journal = {ACS Omega},
  year = {2026},
  month = jun,
  doi = {10.1021/acsomega.6c00701},
  url = {https://doi.org/10.1021/acsomega.6c00701},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - From the Gut to the Brain: Modeling Intestinal Absorption and Assessing Blood–Brain-Barrier Permeability of Small-Molecule Drugs by IAM Chromatography
AU  - Stefan Simić
AU  - Predrag Kalaba
AU  - Judith Wackerlig
AU  - Thierry Langer
PY  - 2026
DA  - 2026/06/25
JO  - ACS Omega
DO  - 10.1021/acsomega.6c00701
UR  - https://doi.org/10.1021/acsomega.6c00701
AB  - High Resolution Image Download MS PowerPoint Slide Designing small-molecule compounds and delivery systems capable of crossing the blood–brain barrier (BBB) remains a major obstacle in central nervous system (CNS) drug development. This challenge is compounded by the lack of robust, rapid, and cost-effective methods for early-stage assessment of BBB permeability. In this study, we addressed this gap by evaluating immobilized artificial membrane (IAM) chromatography as a high-throughput screening tool using a set of 50 marketed drugs with diverse chemical structures and well-documented CNS penetration profiles (both positive and negative). The strong correlation between IAM retention parameters ( k IAM ) and passive diffusion-based permeability confirms the ability of this biomimetic method to simulate drug–membrane interactions, establishing IAM chromatography as a reliable and economical alternative to more complex cell-based and in vivo models. Additionally, the integration of IAM data with in silico molecular descriptors yields a predictive model for intestinal absorption, offering a powerful tool for early permeability profiling in drug discovery.
SN  - 2470-1343
ER  -