Effect of drug-polymer interaction on drug diffusion through polymeric membranes
Journal
Journal of Medical and Biological Engineering
Journal Volume
27
Journal Issue
1
Pages
35-40
Date Issued
2007
Author(s)
Abstract
Experiments and molecular dynamics simulations were performed in the present work to investigate diffusion of theophylline and aspirin molecules through poly(vinyl alcohol) (PVA) membranes. Both experimental data and simulation results showed that aspirin had lower diffusion coefficient than theophylline. The experimental data also indicated a stronger interaction with PVA of aspirin than theophylline. Investigations were carried out to look into how the drug-polymer interaction can affect drug diffusion in polymeric membranes. According to the trajectories of molecule movement in polymer, obtained from the simulation, the aspirin molecule was less likely than theophylline to move from its original position, which is believed to result from the higher energy needed for the aspirin molecule to move away from the surrounding PVA molecules, due to the higher interaction between aspirin and PVA. Another interesting phenomenon observed from the simulation is that the aspirin molecule could not perform "sudden jump" motion from its original position, as the theophylline molecule did, which we believe also related to the stronger interaction between aspirin and PVA.
Subjects
Controlled release
Drug diffusion
Drug-polymer interaction
Molecular dynamics simulation
SDGs
Other Subjects
Computer simulation; Diffusion; Molecular dynamics; Polymeric membranes; Polyvinyl alcohols; Aspirin; Controlled release; Drug diffusion; Drug-polymer interaction; Drug products; acetylsalicylic acid; polymer; polyvinyl alcohol; theophylline; article; diffusion coefficient; drug diffusion; drug penetration; drug potentiation; drug structure; energy consumption; membrane; molecular dynamics; molecular model; simulation
Type
journal article