Thermodynamics and solvent linkage of macromolecule-ligand interactions.

ABSTRACT: Binding involves two steps, desolvation and association. While water is ubiquitous and occurs at high concentration, it is typically ignored. In vitro experiments typically use infinite dilution conditions, while in vivo, the concentration of water is decreased due to the presence of high concentrations of molecules in the cellular milieu. This review discusses isothermal titration calorimetry approaches that address the role of water in binding. For example, use of D2O allows the contribution of solvent reorganization to the enthalpy component to be assessed. Further, the addition of osmolytes will decrease the water activity of a solution and allow effects on Ka to be determined. In most cases, binding becomes tighter in the presence of osmolytes as the desolvation penalty associated wit

SUBMITTER: Duff MR 

PROVIDER: S-EPMC4380819 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature