Developing a predictive model for blood-brain-barrier permeability to explore relevance of <i>in vitro</i> neurotoxicity data for <i>in vivo</i> risk assessment.

ABSTRACT:

Introduction

Despite recent rapid advancements in in vitro toxicology, its application to whole-body health outcomes remains limited. Incorporating factors like internal exposure, such as permeability across biomembranes, could improve its relevance. Notably, there is a lack of data and predictive models for blood-brain barrier (BBB) permeability, a proxy for the exposure of target organs to neurotoxicity. We developed a predictive model for BBB permeability to investigate whether it can strengthen the correlation between in vitro and in vivo neurotoxicity data.

Methods

We collected permeability data from parallel artificial membrane permeability assays for brain membranes (PAMPA-BBB) for 106 compounds with varied physicochemical properties. This was uti

SUBMITTER: Illa SE 

PROVIDER: S-EPMC12044339 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature