Skin-in-Silico

Skin absorption and permeation simulation software

Our skin is a protective barrier that is continuously exposed to different chemicals. These chemicals can be intentional, like those in cosmetics and topical formulations, or unintentional, like those in environmental pollutants and insecticides.

Do these chemicals get absorbed through our skin and enter the bloodstream?

The Skin-in-Silico model considers the physiological structure of human skin and the physicochemical properties of the components being tested. Skin-in-Silico estimate the absorption of the components of a given dose into the topmost layer of skin (stratum corneum), the permeation through the subsequent two layers (viable epidermis and dermis) and release into a receptor fluid (in vitro) or clearance into the bloodstream (in vivo).


Mathematical model

Absorption and permeation in Skin-in-Silico are predicted numerically by using the Finite Element Method, where the skin is represented by a finite number of small elements called a computational mesh.

Simulation of the permeation process through the skin layers is based on Fick’s 2nd law of diffusion considering the partitioning between layers. The respective equations are applied to each element of the computational mesh and are solved simultaneously to calculate the change of the concentrations of the permeants with time.

Key features

  • Multilayer skin structure based on physiological stratification
  • Multi-component dose
  • Vehicle effects included
  • Industry-recognized estimators of simulation parameters
  • In vitro and in vivo models
  • In-built software estimators for several parameters, including diffusion and partition coefficients
  • User-friendly interface

Applications

Simulations

Concentration gradients in each skin layer simulated by Skin-in-Silico. The color-coded representation shows the concentrations of the active ingredient and the vehicle within the stratum corneum (SC), viable epidermis (VE), and dermis (DE). The concentration gradients provide valuable insights into how the substances distribute and permeate through the skin layers.

Total amounts of the active ingredient and the vehicle present in each skin layer, as well as in the reception fluid or blood helps users understand the distribution of the substances and their release into the surrounding medium. It provides quantitative information about the accumulated amounts within the skin layers and the receptor fluid, aiding in the evaluation of formulation efficacy.

The flux of the active ingredient and the vehicle shows the rate at which these substances pass through the skin barrier and are cleared into the receptor fluid (in vitro) or the blood (in vivo). The cumulative amount of the active components in the blood (in vivo) is also calculated.

Why use Skin-in-Silico

  • Quickly and accurately estimate absorption and permeation for a skin formulation using physico-chemical data of each component and the composition of the dose(s)
  • Optimize dosage, formulation, and pharmacokinetics for improved skin absorption by testing various components, concentrations, and regimens
  • Evaluate unsynthesized or virtually generated compounds
  • Exposure risk assessment of industrial chemicals as required by REACH legislation

Thoroughly tested by some of the world’s leading pharmaceutical, cosmetic, and personal care companies

Are you interested in learning more about Skin-in-Silico? We will be happy to schedule a meeting, send you a quotation, or discuss how your research can benefit from our skin permeation model.