Table 3. Calculated binding affinities using MolDock for enkephalin and its derivatives with ASGPR.
Compound | MolDock Score# (kcal/mol) |
Enkephalin | Positive |
Gal-Enk | Positive |
Lac-Enk | Positive |
Gal-Lac-Enk | −9 |
D-Galactose | −34 |
D-Lactose | −45 |
The binding affinity was calculated by energy minimization and given a MolDock score, which was derived from the piecewise linear potential scoring function [53].