In vivo measurements remain unmatched with respect to sensitivity and for the characterization of carrier-mediated uptake, receptor-mediated transport, and active efflux. Isolated microvessels are valuable tools for molecular characterization of transporters. Endothelial cell culture models of the blood-brain barrier (BBB) are pursued as in vitro systems suitable for screening procedures. Recent applications of conditionally immortalized cell lines indicate that a particular weakness of culture models because of downregulation of BBB-specific transporter systems can be overcome. In silico approaches are being developed with the goal of predicting brain uptake from molecular structure at early stages of drug development. Currently, the predictive capability is limited to passive, diffusional uptake and predominantly relies on few molecular descriptors related to lipophilicity, hydrogen bonding capacity, charge, and molecular weight. A caveat with most present strategies is their reliance on surrogates of BBB transport, like CNS activity/inactivity or brain-to-blood partitioning rather than actual BBB permeability data.

Article How to Measure Drug Transport across the Blood-Brain Barrier

Two gold-standard experimental measures of BBB permeability are logBB (the concentration of drug in the brain divided by concentration in the blood) and logPS (permeability surface-area product); logPS is considered the more informative measure. In silico methods may provide viable alternatives. Check the article: Article A Method to Predict Blood-Brain Barrier Permeability of Drug...

thank you for your valuable response.

You could use our python script (logBB.py) to calculate the blood/brain partition coefficient (logBB calculator) based on Clark and Rishton empirical equations.

http://shityakovlab.uphero.com/hardware-and-software.html