MinireviewThermodynamic analysis of the drug-receptor interaction
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2017, Revista Colombiana de AnestesiologiaThermodynamics and kinetics of inhibitor binding to human equilibrative nucleoside transporter subtype-1
2015, Biochemical PharmacologyCitation Excerpt :We report here, for the first time, the thermodynamics of well characterized hENT1 inhibitors using radioligand binding assays and recombinant hENT1 expressed in the membranes of Sf9 cells. In order to use ligand binding assays to determine the thermodynamic parameters of ligand–receptor/transporter interaction, four conditions should be met [25]. The binding reaction must reach equilibrium, binding should be measured for single class or subtype of the receptor, multiple temperatures should be used, and the receptor/transporter must be in its pharmacologically relevant state during all experimental conditions tested.
Conformational Restriction and Steric Hindrance in Medicinal Chemistry
2015, The Practice of Medicinal Chemistry: Fourth EditionEnthalpy-entropy compensation for some drugs dissociation in aqueous solutions
2012, Fluid Phase EquilibriaCitation Excerpt :In fact, the standard enthalpy ΔH0 can be considered a quantitative indicator of the changes in intermolecular bond energies (hydrogen bonding and Van der Waals interactions) occurring during the binding, while the standard entropy ΔS0 is most likely a good indicator of the rearrangements undergone by the water molecules during the same process. Methods based on pKa measurements over a range of temperatures combined with Van’t Hoff plots have been successfully applied, as discussed in recent critical appraisals [52–54]. The negative value of ΔS0 is due to the increased order.
Binding thermodynamics at the human cannabinoid CB<inf>1</inf> and CB<inf>2</inf> receptors
2010, Biochemical PharmacologyCitation Excerpt :Such a method has proved to be successful in many cases. Until now, elegant studies have been carried out on several receptor systems, demonstrating the value of thermodynamics for investigating receptor–ligand interactions [3,4]. In addition, some of these studies have suggested that measurement of thermodynamic parameters can allow the discrimination of agonist and antagonist ligands.
Thermodynamic analysis does not allow discrimination of agonists and antagonists at human CCK<inf>2S</inf>-receptors
2008, European Journal of Pharmacology