Docking Studies and Ligand Recognition for Allosteric Modifiers of Hemoglobin

Friday, April 07, 2006 Print


Oxygen binding affinity of hemoglobin can be modulated by various natural and synthetic allosteric effectors. There is considerable interest in designing agents that produce low-affinity Hbs. Such agents have several potential clinical applications. The aim of this study is to show how a molecular docking strategy can be successfully used to investigate the inhibition mechanism of these synthetic compounds.