Modeling drug delivery

Computational modeling of drug delivery is the use of mathematics, physics and computer science to study the behavior of the physicochemical mechanisms of drug delivery by computer simulations. A computational model contains relevant parameters that define the drug delivery process being studied. Simulation is done by adjusting these parameters and observing how the changes affect the results predicted by the drug delivery model. The simulation helps in a better understanding of the drug delivery process and allows for a more efficient development of an optimal controlled delivery system. Moreover computational modelling of a drug delivery formulations offers significant advantages like:

  • clarify and demonstrate the behavior of a drug in the delivery system
  • predict drug release rates and or plasma levels
  • confirm experimental results as predicted by the model
  • design an optimal formulation without performing material, time and cost consuming experiments
  • significantly reduce development times of a controlled delivery system

In order to demonstrate the advantage of computational modeling of drug delivery systems Comsol Multiphysics™ is used to simulate drug delivery from arbitrary delivery systems.