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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