{
  "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.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria",
    "Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Stefan Simić",
      "orcid": "0009-0003-6228-2883"
    },
    {
      "affs": [
        0
      ],
      "name": "Predrag Kalaba",
      "orcid": "0000-0003-0480-2337"
    },
    {
      "affs": [
        0
      ],
      "name": "Judith Wackerlig",
      "orcid": "0009-0009-8832-6745"
    },
    {
      "affs": [
        0
      ],
      "name": "Thierry Langer",
      "orcid": "0000-0002-5242-1240"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/fc4g1tkfyxshq.bib",
  "cited_by": 5,
  "doi": "10.1021/acsomega.6c00701",
  "fulltext_url": null,
  "id": "fc4g1tkfyxshq",
  "issns": [
    "2470-1343"
  ],
  "landing_url": "https://doi.org/10.1021/acsomega.6c00701",
  "language": "en",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "3002|Computational Drug Discovery Methods"
    ]
  ],
  "openalex": "W7165959605",
  "pdf_url": "https://pubs.acs.org/doi/pdf/10.1021/acsomega.6c00701?ref=article_openPDF",
  "pmcid": "PMC13347323",
  "pmid": "42428911",
  "published": "2026-06-25",
  "publisher": "American Chemical Society",
  "ris": "https://research.draconitic.com/paper/fc4g1tkfyxshq.ris",
  "sources": [
    {
      "first_seen": "2026-11-06T13:20:40Z",
      "native_id": "W7165959605",
      "source": "openalex",
      "url": "https://doi.org/10.1021/acsomega.6c00701"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:3002|Computational Drug Discovery Methods",
      "subfield": "medicinal"
    }
  ],
  "title": "From the Gut to the Brain: Modeling Intestinal Absorption and Assessing Blood–Brain-Barrier Permeability of Small-Molecule Drugs by IAM Chromatography",
  "title_text": "From the Gut to the Brain: Modeling Intestinal Absorption and Assessing Blood–Brain-Barrier Permeability of Small-Molecule Drugs by IAM Chromatography",
  "type": "peer-reviewed",
  "updated_at": "2026-11-08T13:20:52Z",
  "url": "https://research.draconitic.com/paper/fc4g1tkfyxshq",
  "venue": "ACS Omega",
  "versions": []
}