Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design.
Recent data have highlighted the enigmatic role that water plays in biomolecular complexes. Water at the interface of a complex can increase the promiscuity of an interaction, yet it can also provide increased specificity and affinity. The ability to engineer water-binding sites into the interface between a drug and its target might prove useful in drug design.
Ladbury
J E
JE
Department of Biochemistry and Molecular Biology, University College London, 91 Riding House Street, London W1P 8BT, UK.
D000936:Antigen-Antibody Complex / Q000378:metabolism; D001665:Binding Sites; D050260:Carbohydrate Metabolism; D015195:Drug Design; D008958:Models, Molecular; D010455:Peptides / Q000378:metabolism; D011506:Proteins / Q000378:metabolism; D014867:Water / Q000494:pharmacology*
D000936:Antigen-Antibody Complex; D010455:Peptides; D011506:Proteins; D014867:Water