Molecular determinants of blood–brain barrier permeation

Author:

Geldenhuys Werner J1,Mohammad Afroz S2,Adkins Chris E2,Lockman Paul R2

Affiliation:

1. Department of Pharmaceutical Sciences, College of Pharmacy, Northeast Ohio Medical University (NEOMED), Rootstown, OH 44272, USA

2. Department of Pharmaceutical Sciences, West Virginia University, Morgantown, WV 26505, USA

Abstract

The blood–brain barrier (BBB) is a microvascular unit which selectively regulates the permeability of drugs to the brain. With the rise in CNS drug targets and diseases, there is a need to be able to accurately predict a priori which compounds in a company database should be pursued for favorable properties. In this review, we will explore the different computational tools available today, as well as underpin these to the experimental methods used to determine BBB permeability. These include in vitro models and the in vivo models that yield the dataset we use to generate predictive models. Understanding of how these models were experimentally derived determines our accurate and predicted use for determining a balance between activity and BBB distribution.

Publisher

Future Science Ltd

Subject

Pharmaceutical Science

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