Litcius/Paper detail

Permeability Benchmarking: Guidelines for Comparing <i>in Silico</i>, <i>in Vitro</i>, and <i>in Vivo</i> Measurements

Christian Jorgensen, Raleigh M. Linville, Ian Galea, Edward Lambden, Martin Vögele, Charles H. Chen, Evan P. Troendle, Fiorella Ruggiu, Martin B. Ulmschneider, Birgit Schiøtt, Christian D. Lorenz

2025Journal of Chemical Information and Modeling15 citationsDOIOpen Access PDF

Abstract

, depicting the ways in which each benchmarking is sensitive to the choices of assay design. Finally, we outline seven recommendations for best practices in permeability benchmarking and underscore the significance of tailored permeability assays in driving advancements in drug delivery research and development. Our exploration encompasses a discussion of "generic" and tissue-specific biological barriers, including the blood-brain barrier (BBB), which is a major hurdle for the delivery of therapeutic agents into the brain. By addressing challenges in reconciling simulated data with experimental assays, we aim to provide insights essential for optimizing accuracy and reliability in permeability modeling.

Topics & Concepts

In silicoIn vivoBenchmarkingIn vitroPermeability (electromagnetism)ChemistryComputational biologyComputer scienceBiologyBiochemistryBiotechnologyBusinessMembraneMarketingGeneDrilling and Well EngineeringGrouting, Rheology, and Soil MechanicsEnhanced Oil Recovery Techniques