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Improving 2D and 3D Skin In Vitro Models Using Macromolecular Crowding
Published on: August 22, 2016
Computational modeling of the skin barrier
Arne Naegel1, Michael Heisig, Gabriel Wittum
1Goethe-Center for Scientific Computing, Goethe-University, Frankfurt am Main, Germany.
Methods in Molecular Biology (Clifton, N.J.)
|August 30, 2011
Summary
A new simulation environment models skin permeation using finite volume methods. It reveals that cell shape significantly impacts barrier effectiveness, with tetrakaidecahedra offering optimal properties for drug delivery research.
Area of Science:
- Computational biology
- Dermatology
- Pharmacokinetics
Background:
- Understanding skin permeation is crucial for drug delivery.
- The stratum corneum (SC) acts as a primary barrier.
- Accurate modeling of SC morphology is essential for predicting transport.
Purpose of the Study:
- To develop a simulation environment for calculating skin permeation.
- To investigate the influence of cell morphology on barrier properties.
- To compare different geometric models for SC and lipid matrix.
Main Methods:
- Developed a simulation environment using the finite volume method.
- Utilized 3D tetrakaidecahedra, cuboids, and 2D brick-and-mortar models.
- Simulated diffusive transport through SC and deeper skin layers.
Main Results:
- Permeability and lag time were represented in a closed form dependent on model parameters and geometry.
- Demonstrated and quantified the influence of cell shape on barrier properties.
- Tetrakaidecahedra showed favorable barrier-to-volume ratio, alongside an optimal surface-to-volume ratio.
Conclusions:
- The developed simulation environment accurately models skin permeation.
- Cell shape is a critical determinant of skin barrier function.
- This model aids in comparing barrier effectiveness and optimizing drug delivery strategies.
