Madlen Hubert

ORCID: 0000-0002-5908-9535 · 1 paper in corpus

article 2020

Molecular Dynamics Simulations Reveal Membrane Interactions for Poorly Water-Soluble Drugs: Impact of Bile Solubilization and Drug Aggregation

·doi:10.1016/j.xphs.2020.10.061

Molecular transport mechanisms of poorly soluble hydrophobic drug compounds to lipid membranes were investigated using molecular dynamics (MD) simulations. The model compound danazol was used to investigate the mechanism(s) by which bile mi…