2D QSAR ANALYSIS OF BLOOD-BRAIN BARRIER PERMEABILITY FOR ORGANIC COMPOUNDS

Abstract

The aim of this work is to analyze the influence of the structure of organic compounds on their ability to penetrate the blood-brain barrier (BBB) using the  values of LogPS (logarithm of the product of permeability and surface area of metabolism, which is a measure of the transfer of compounds from the blood to the brain and reflects the degree of  penetration of the substance into the brain without relative binding to proteins). The study of the  permeability of BBB is necessary both for the development of new drugs for which the CNS is a biointerference, and for the development of effective ways of treating diseases of the brain.