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Measuring Biomolecular DSC Profiles with Thermolabile Ligands to Rapidly Characterize Folding and Binding Interactions
Published on: November 21, 2017
The impact of binding thermodynamics on medicinal chemistry optimizations
György G Ferenczy1, György M Keserű1
1Research Center for Natural Sciences, Hungarian Academy of Sciences, 2 Magyar tudósok krt. H-1117 Budapest, Hungary.
Abstract:
Ligand binding thermodynamics has been attracted considerable interest in the past decade owing to the recognized relation between binding thermodynamic profile and the physicochemical and druglike properties of compounds. In this review, the relation between optimization strategies and ligand properties is presented based on the structural and thermodynamic analysis of ligand-protein complex formation. The control of the binding thermodynamic profile is beneficial for the balanced affinity and physicochemical properties of drug candidates, and early phase optimization gives more opportunity to this control.
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