Application of numerical methods for diffusion-based modeling of skin permeation

Area of Science:

• Pharmacokinetics
• Computational Biology
• Dermatology

Background:

• Skin permeation is crucial for drug delivery.
• Mechanistic modeling provides insights into transport pathways.
• Numerical methods are essential for complex diffusion-based models.

Purpose of the Study:

• To review numerical methods for skin permeation modeling.
• To provide an overview of current and historical models.
• To highlight key findings and future research directions.

Main Methods:

• Finite difference
• Method of lines
• Finite element
• Finite volume
• Random walk
• Cellular automata
• Smoothed particle hydrodynamics

Main Results:

• Numerical models support a predominantly transcellular route for skin permeation.
• Anisotropic lipid transport is indicated by model results.
• Current models offer valuable insights into drug diffusion through the skin.

Conclusions:

• Numerical methods are powerful tools for understanding skin permeation.
• Future models should incorporate detailed drug-vehicle-skin interactions.
• Further analysis is needed to refine mechanistic diffusion models.