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Table 3 Selected residues and biological meanings of huAChE QSAR model

From: An integrated approach with new strategies for QSAR models and lead optimization

Selected residue Descriptions
TYR72 Stabilize ligand ring
TRP86 Forming π-π interaction to stabilize ligand
ASN87 Electrostatic contributors in the gorge area
TYR124 Form hydrophobic contacts with ligand
SER203 Catalytic triad
TRP286 Enhance the activity of ligand with polar groups
TYR337 Electrostatic contributors in the gorge area
PHE338 Form hydrophobic contacts with ligand
TYR341 The residue in the local pocket
HIS447 Catalytic triad