We have identified tryptophan-based selective nanomolar butyrylcholinesterase (BChE) inhibitors. They are defined according to their chemical modularity, novel binding mode revealed by five solved crystal structures with human BChE, low cytotoxicity, and predicted permeability of the blood-brain barrier. Altogether, these factors indicate their potential as unique lead compounds for symptomatic therapy against Alzheimer's disease.
        
Representative scheme of BCHE structure and an image from PDBsum server
Databases
PDB-Sum
6QAB Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP
6QABFold classification based on Structure-Structure alignment of Proteins - FSSP server