ArticlePloS one2017
Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model.
Article in PloS one, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 papers, 1 of them a synthesis that pooled it.
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Who cites it
34 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Meta-Analysis of Permeability Literature Data Shows Possibilities and Limitations of Popular Methods.Molecular pharmaceutics · 2025Pooled it
- DYNAMEX: A Time-Resolved Model for Predicting Distribution of Chemicals in In Vitro Cell Assays.Environmental science & technology · 2026Article
- Computational Discovery of Novel CYP51 Inhibitors for Antifungal Therapy Against Aspergillus fumigatus.Probiotics and antimicrobial proteins · 2026Article
- An Integrated Cellular Computational Pipeline Decodes Luteolin to Design Possible Allosteric CDK1/CYCLIN B1 Inhibitors That Overcome Breast Cancer Stemness.Pharmaceuticals (Basel, Switzerland) · 2026Article
- I-TEP: A Simple and Affordable Method to Measure Permeability in Reconstructed Tissues Combined with DAMO-TSC-Based Urea Assay.Methods and protocols · 2026Article
- A brain-penetrant P2X7R antagonist mitigates Alzheimer's disease pathology.bioRxiv : the preprint server for biology · 2026Article
- PEGASUS: Unlocking Polarity in Cell-Permeable Cyclic Peptides Using AI Models Built on Massively Parallel Biological Assays.Journal of medicinal chemistry · 2026Article
- A metal-aware library-expansion and virtual-screening workflow forFrontiers in microbiology · 2026Article
- Classifying Effluxable Versus Non-Effluxable Compounds Using a Permeability Threshold Based on Fundamental Energy Constraints.Pharmaceutics · 2025Article
- Preclinical pharmacokinetics and in vitro ADME properties of PAT-1102: a novel HDAC inhibitor for cancer therapy.Journal of cancer research and clinical oncology · 2025Article
- Permeability Benchmarking: Guidelines for ComparingJournal of chemical information and modeling · 2025Review
- Synthesis, Anticancer Screening, and In Silico Evaluations of Thieno[2,3-Pharmaceuticals (Basel, Switzerland) · 2025Article
- Network Pharmacology-based Virtual Screening of Chemical Constituents fromCurrent cancer drug targets · 2025Article
- The pH-dependence of efflux ratios determined with bidirectional transport assays across cellular monolayers.International journal of pharmaceutics: X · 2024Article
- Delivery of Lutein by Using Modified Burdock Polysaccharide Aggregates: Preparation, Characterization, and In Vitro Release Properties.Polymers · 2024Article
- A Combination of Machine Learning and PBPK Modeling Approach for Pharmacokinetics Prediction of Small Molecules in Humans.Pharmaceutical research · 2024Review
- A phenotypic screening approach to target p60AmotL2-expressing invasive cancer cells.Journal of experimental & clinical cancer research : CR · 2024Article
- Non-invasive transdermal delivery of biomacromolecules with fluorocarbon-modified chitosan for melanoma immunotherapy and viral vaccines.Nature communications · 2024Article
- Effects of Aqueous Boundary Layers and Paracellular Transport on the Efflux Ratio as a Measure of Active Transport Across Cell Layers.Pharmaceutics · 2024Article
- Molecular docking of antidiabetic molecules of libas (In silico pharmacology · 2024Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Experimentally derived apparent permeabilities, Papp, through cell monolayers such as Caco-2 and MDCK are considered to be an in-vitro gold standard for assessing the uptake efficiency of drugs. Here, we present a mechanistic model that describes 'passive' Papp values (i.e., neglecting active transport) by accounting for the different resistances solutes encounter when permeating a cell monolayer. We described three parallel permeation pathways, namely a cytosolic-, paracellular-, and lateral route, each of which consists of a number of serial resistances. These resistances were accounted for via a mechanistic depiction of the underlying processes that are largely based on literature work. For the present Papp dataset, about as much chemicals are dominated by the cytosolic route as were dominated by the paracellular route, while the lateral route was negligible. For the cytosolic route by far the most chemicals found their main resistance in the various water layers and not in the membrane. Although correlations within the subclasses of chemicals dominated by a specific permeation route were rather poor, we could overall satisfyingly predict Papp for 151 chemicals at a pH of 7.4 (R2 = 0.77, RMSE = 0.48). For a specific evaluation of the intrinsic membrane permeability, Pm, a second experimental dataset based on experiments with black lipid membranes, BLM, was evaluated. Pm could be predicted for 37 chemicals with R2 = 0.91 and RMSE = 0.64 log units.
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