POxload: Machine Learning Estimates Drug Loadings of Polymeric Micelles

J Kehrein, A Bunker, R Luxenhofer - Molecular Pharmaceutics, 2024 - ACS Publications
Block copolymers, composed of poly (2-oxazoline) s and poly (2-oxazine) s, can serve as
drug delivery systems; they form micelles that carry poorly water-soluble drugs. Many recent …

Molecular dynamics simulations of self-assembling colloids in fed-state human intestinal fluids and their solubilization of lipophilic drugs

A Parrow, P Larsson, P Augustijns… - Molecular …, 2022 - ACS Publications
Bioavailability of oral drugs often depends on how soluble the active pharmaceutical
ingredient is in the fluid present in the small intestine. For efficient drug discovery and …

Bile Is a Selective Elevator for Mucosal Mechanics and Transport

S Hanio, S Möllmert, C Möckel… - Molecular …, 2023 - ACS Publications
Mucus mechanically protects the intestinal epithelium and impacts the absorption of drugs,
with a largely unknown role for bile. We explored the impacts of bile on mucosal …

Structural Investigation on How Guest Loading of Poly (2-oxazoline)-Based Micelles Affects the Interaction with Simulated Intestinal Fluids

S Endres, S Ehrmanntraut, L Endres… - ACS Biomaterials …, 2023 - ACS Publications
Drug loading of polymer micelles can have a profound effect on their particle size and
morphology as well as their physicochemical properties. In turn, this influences performance …

Exploring molecular fingerprints of different drugs having bile interaction: a stepping stone towards better drug delivery

S Sardar, A Bhattacharya, SA Amin, T Jha, S Gayen - Molecular Diversity, 2024 - Springer
Bile acids are amphiphilic substances produced naturally in humans. In the context of drug
delivery and dosage form design, it is critical to understand whether a drug interacts with bile …