Drug diffusion transport models for nanoporous material

A. Ziemys, M. Milosevic, M. Ferrari, M. Kojic
The Methodist Hospital Research Institute, US

Keywords: drug, diffusion, release, model, nanopores


In order to predict accurately drug diffusion and release from drug vectors, we have developed a novel physics-based deterministic method for drug diffusion in composite media that accounts for interactions within microstructure and material properties of porous matrix. The results showed that microstructure of nanoscale may have substantial effects on drug mass transport (release) that were taken into account in our model through the diffusivity. We showed that geometrical and material properties of solid phase, like polymer fibers, affect drug release along with drug molecule properties, e.g. size. Our method can be expanded to model cellular media (tissue), where cellular media histology images can directly be translated to the computational model. Drug penetration through tissue can be calculated directly, or by an equivalent continuum model where transport parameters are derived from the imaged structure. This computational method has great power in predicting drug release kinetics from drug delivery vectors, and can serve as a tool to optimize drug vector structure and chemistry, as well as drug penetration through biological media.