Blood-brain barrier penetration and brain distribution model

The blood-brain barrier is a highly selective layer that prevents substances from entering the brain from the bloodstream. Because of this, the blood-brain barrier presents a significant obstacle to drug development. Additionally, the blood-brain barrier’s function is compromised in several brain conditions, which can either facilitate or inhibit the diffusion of drugs to the brain.

Predicting and improving the blood-brain barrier penetration properties of novel and existing drugs is challenging, as currently there is a lack of in vitro models that can accurately replicate and mimic the complex functions of the blood-brain barrier in vivo. Similarly, animal experiments are costly, time-consuming, raise ethical concerns, and often do not fully translate into humans.

Rapid, cost-effective, and reliable tools to predict BBB permeability and brain distribution are needed for facilitating and improving the development of effective central nervous system (CNS) and non-CNS drugs.

Our team is currently developing a physiologically based pharmacokinetic (PBPK) model that simulates drug transport across the blood-brain barrier and predicts drug concentrations in the brain

The model

Key features

  • Multiple brain compartments
  • Advanced blood-brain barrier structure

  • Disease conditions
  • Different drug administration routes
  • Active transport and passive diffusion
  • Multiple species
  • Drug metabolism
  • User-friendly interface

Why use Brain-in-Silico

  • Quickly and accurately estimate penetration of a drug candidate through the blood-brain barrier and its distribution in different brain compartments
  • Optimize dosage and pharmacokinetics for improved blood-brain barrier penetration and brain distribution by testing different drug concentrations and regimens
  • Evaluate unsynthesized or virtually generated compounds

We expect to launch a new, improved, and more advanced version of our blood-brain barrier software in 2024. In the meantime, we are seeking partners to collaborate or test our model. Contact us if you are interested!