Permeability Benchmarking: Guidelines for Comparing in Silico, in Vitro, and in Vivo Measurements

C Jorgensen, RM Linville, I Galea… - Journal of Chemical …, 2025 - ACS Publications
Permeability is a measure of the degree to which cells can transport molecules across
biological barriers. Units of permeability are distance per unit time (typically cm/s), where …

Enhanced motivated behavior mediated by pharmacological targeting of the FGF14/Nav1.6 complex in nucleus accumbens neurons

NM Dvorak, PA Wadsworth, G Aquino-Miranda… - Nature …, 2025 - nature.com
Protein/protein interactions (PPI) play crucial roles in neuronal functions. Yet, their potential
as drug targets for brain disorders remains underexplored. The fibroblast growth factor 14 …

Modeling Substrate Entry into the P-Glycoprotein Efflux Pump at the Blood–Brain Barrier

C Jorgensen, MB Ulmschneider… - Journal of medicinal …, 2023 - ACS Publications
We report molecular dynamics simulations of rhodamine entry into the central binding cavity
of P-gp in the inward open conformation. Rhodamine can enter the inner volume via passive …

Inorganic Nanoparticles for Brain Targeting Scope and Limitations

H Ahmed, S Singh, A Alexander - … of Nanocarriers in Brain Delivery of …, 2024 - Springer
The drug delivery to the brain on systemic administration creates hindrance because of the
presence of blood–brain barrier (BBB). The utilization of novel nanomaterials such as …