Binding affinity measurements

FIGURE 2.4 Occupancy-response curves for P-adrenoceptor agonists in transfected CHO cells. Occupancy (abscissae) calculated from binding affinity measured by displacement of [125I]iodocyanopindolol. Response measured as increases in cyclic AMP. Drawn from [3],... 

The LUDI score is the binding affinity measure, calibrated using the binding constants from a database of 45 ligand-protein complexes and defined as... 

Table 7.7 Molecular properties of some acidic compounds, logn represents the Human Serum Albumin (HSA)-drug binding affinity, from ref. 13. lognSf represents the HSA-drug binding affinity measured using a two-column system, from ref. 13. pKl are reference values, from ref. 13 TpKl values were measured by ion-exchange liquid chromatography. Mlm represents the molecular interaction eneigy calculated for the molecular-form compound, and Mlj the molecular interaction energy calculated for the ionic-form compound (kcal moP ).

Receptor 154 also shows anodic shifts in the redox potential however, on the addition of F , two redox waves are observed (AE = -125 and -255 mV in dichloromethane) and are only observed with F . As with 153, chloride shows a lower anodic shift of -55 mV, corresponding well with the binding affinity measured by NMR spectroscopy. 

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