In Silico Studies on Triterpenoid Saponins Permeation through the Blood-Brain Barrier Combined with Postmortem Research on the Brain Tissues of Mice Affected by Astragaloside IV Administration.

ABSTRACT: As the number of central nervous system (CNS) drug candidates is constantly growing, there is a strong need for precise a priori prediction of whether an administered compound is able to cross the blood-brain barrier (BBB). The aim of this study was to evaluate the ability to cross the BBB of triterpenoid saponins occurring in Astragalus mongholicus roots. The research was carried out using in silico methods combined with postmortem studies on the brain tissues of mice treated with isolated astragaloside IV (AIV). Firstly, to estimate the ability to cross the BBB by the tested saponins, new quantitative structure-activity relationship (QSAR) models were established. The reliability and predictability of the model based on the values of the blood-brain barrier penetration descriptor (logBB)

SUBMITTER: Stepnik K 

PROVIDER: S-EPMC7177733 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature