General physical model for simultaneous diffusion and metabolism in biological membranes. The computational approach for the steady-state case

Abstract

A computational approach has been presented for modeling simultaneous diffusion and metabolism in biological membranes. This approach has a virtually unlimited flexibility in the variety and complexity of metabolic schemes that can be modeled. Furthermore, non-uniform enzyme distributions, as well as composite membranes with any number of layers, can also be handled. Example calculations have been presented (using a real system currently being investigated in the author's laboratory) which show that the versatility of this approach is a necessity for the quantitative study of the system. Furthermore, the utility of this approach in guiding decisions as to what path to take in improving a prodrug for a given system is amply illustrated. It is expected that this physical modeling approach, when combined with techniques now being developed for determining the values of the various model parameters, will provide a very useful tool in the investigation and optimization of drug delivery systems.