Article

In Silico Methods to Assess CNS Penetration of Small Molecules

2024-01-19

Abstract excerpt

In CNS drug discovery, estimation of brain exposure of lead compounds is critical for their optimization. Compounds need to cross the blood-brain barrier (BBB) to reach the pharmacological targets in the CNS. The BBB is a complex system involving passive and active mechanisms of transport and efflux transporters such as P-glycoproteins (P-gp) and breast cancer resistance protein (BCRP), which play an essential rol...

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Literature Corpus work: d912700d-da76-50be-b9fd-e88880ac1b34
DOI: 10.20944/preprints202401.1443.v1

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