Title : Discovery of a Novel and Brain-Penetrant O-GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.

Pub. Date : 2021 Jan 28

PMID : 33404239






1 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Herein, we report the discovery of a potent and novel OGA inhibitor, compound 5i, comprising an aminopyrimidine scaffold, identified by virtual screening based on multiple methodologies combining structure-based and ligand-based approaches, followed by sequential optimization with a focus on ligand lipophilicity efficiency. 2-aminopyrimidine O-GlcNAcase Homo sapiens