Ligand interactions thermodynamics

J.H., and Martin, S.F. (2011) Protein-ligand interactions thermodynamic effects associated with increasing nonpolar surfece area. Journal of the American Chemical Society, 133,18518-18521. 

Sanders (83) constructed a supramolecular assembly of heterometal-lic porphyrins held together by different types of metal-ligand interaction. The team exploited the different kinetic and thermodynamic properties of the pyridine-zinc, carboxylate-tin, and pyridine-... 

Simple thermodynamic considerations state that the reduction process is favoured (i.e. more positive cu(ii)/cu(p potential values are obtained) if the electron transfer is exothermic (AH° negative) and if the molecular disorder increases (AS° positive). It is therefore evident that the positive potential value for the reduction of azurin (as well as that of the most blue copper proteins) is favoured by the enthalpic factor. This means that the metal-to-ligand interactions inside the first coordination sphere (which favour the stability of the reduced form over the oxidized form) prevail over the metal complex-to-solvent interactions inside the second... 

Knowledge about receptor structure and receptor-ligand interactions, for example, homology models. X-ray and/or NMR structures, thermodynamics of ligand binding, effect of point mutations and dynamic motions of receptor and ligands. 

Knowledge about drugs in general, for example, chemical structures and properties of known drugs, rules of conformational analysis and thermodynamics of receptor-ligand interactions. 

Applications in infrared spectroscopy A and B bands, iron-coordinated CO, 232, 186-187 application to allosteric mechanisms, 249, 566 bacteriorhodopsin, 246, 9, 380-381 caged compounds, 246, 6, 520-521 DNA [base pair formation, 246, 506 conformation, 246, 506-507 denaturation thermodynamics, 246, 506 ligand interactions, 246, 6, 507 sample requirements, 246, 506] fatty acyl ester determination in small cell samples, 233,... 

Structure-Function Dissection and sequence analysis of phospholipases A2, 197, 201 cloning, expression, and purification of porcine pancreatic phospholipase A2 and mutants, 197, 214 preparation of antibodies to phospholipases A2, 197, 223 thermodynamics of phospholipase A2-ligand interactions, 197, 234 activation of phospholipase A2 on lipid bilayers, 197, 249 ... 

As the Gibbs standard free energy for the peptide-nonpolar ligand interaction decreases, and AGassoci becomes increasingly negative, enhanced retention will occur. The relationship between the relative retention of a specific peptide in a RPC separation process carried out at constant pressure, P, and constant molar volume, V, can thus be expressed in terms of the following well-known, fundamental thermodynamic relationship ... 

Perozzo, R., Folkers, G., and Scapozza, L. (2004). Thermodynamics of protein-ligand interactions history, presence and future aspects. Journal of Receptor and Signal Transduction Research 24, 1-52. 

Helms V, Wade RC. Thermodynamics of water mediating protein-ligand interactions in cytochrome P450cam a molecular dynamics study. Biophys J 1995 69 810-824. 

Choppin [24] examined some aspects of lanthanide-organic ligand interaction in aqueous solutions. An interpretation of thermodynamic parameters (AG, AH and AS) of complexation have been given in terms of hydration, inner versus outer sphere character, stability vs. chelate ring size and ligand charge polarization. 

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