This 30 min presentation explores a multi-scale skin simulation, representing the composition of a human in vivo skin.
For a biological barrier of interest, the fully mechanistic COSMOperm method calculates permeabilities from highly efficient COSMO-RS calculations. COSMO-RS has a proven track to be predictive towards diverse application scenarios (e.g., cosmetic ingredients, pharmaceuticals, and industrial chemicals). The results are obtained quickly within minutes, as compared to time-consuming molecular dynamics simulations. The application of COSMOperm to different permeability assays and recent developments will be shown.
The highlight of the webinar will be a multi-scale skin simulation, representing the composition of a human in vivo skin. The stratum corneum lipid system has been generated by a new methodology called COSMOplex, and the simulation is complemented by differentiated model systems for cell membranes and the interstitial space in the viable epidermis. A good predictivity is obtained for both non-polar and polar substances, and even for ionic species. In addition, the release from formulations of choice can be taken into account. Even more, this mechanistic model covers variations of the skin composition and penetration pathways in the healthy and compromised skin.
