Ligand binding electrostatic potential

More work is needed to clearly establish the role of outer-sphere association in DNA-platination. We can infer its influence on the rate of platination according to the relation kp = kK0 [N]/(l + K0 [N]) (with N = nucleotide-binding sites of Pt, i.e., N G, [N] [Pt]) (Scheme 3). It could also influence the selectivity of platination via selective association between the cationic species and the sites of higher negative electrostatic potential. To test this hypothesis one will have to analyze the influence of various sequences, of different types of platinum ligands, and of the ionic status of the DNA medium. 

Figure 2.3. Electrostatic potential dendrogram constructed from an electrostatic potential distance matrix for a set of 42 WW domains showing four clusters. WW domains are colored according to their peptide ligand binding preferences. FourWWdomains representative of the clusters are shown with positive (blue) and negative (red) electrostatic isopotential contours. In the cluster of...

The contour parameter m as well as the electrostatic potential can take both positive and negative values. An analysis of the shape of MEP surfaces is of particular interest in drug design as the electrostatic potential has a marked influence on the binding interactions between ligand and receptor. 

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