Protein molecular modelling and ligand docking were employed for the design of anthraquinone galactosyl-bio-mimetic dye ligands (galactosyl-mimodyes) for the target enzyme galactose dehydrogenase (GaDH). Using appro-priate modelling methodology, a GaDH model was build based on a glucose-fructose oxidoreductase (GFO) protein template. Subsequent computational analysis predicted chimaeric mimodye-ligands comprising a NAD-pseudomi-metic moiety (anthraquinone diaminobenzosulfonic acid) and a galactosyl-mimeticmoiety (2-amino-2-deoxygalactose or shikimic acid) bearing an aliphatic linker molecule. .
