New Insights for Pursuing High Relaxivity MRI Agents from Modelling the Binding Interaction of Gd^III Chelates to HSA

The extraordinary ligand binding properties of human serum albumin

“…Non polar hydrogen atoms are omitted for clarity, residues involved in the binding to the metal complexes are labelled. Metal coordinated water molecules are in yellow (69). agent is located in the subdomain IIIA of HSA.…”

“…2), whose binding to HSA is unaffected by warfarin (a typical Sudlow's site I ligand) and sensibly reduced in the presence of ibuprofen (a typical Sudlow's site II ligand) (69). The complex containing the triphenyl substituent displays a larger (about one order of magnitude) affinity and a higher relaxometric efficiency.…”

The effects of intramolecular H‐bond formation on the stability constant and water exchange rate of the Gd(III)‐diethylenetriamine‐N′‐(3‐amino‐1,1‐propylenephosphonic)‐N, N,N″,N″‐tetraacetate complex

“…In turn, this may cause dramatic changes in some of the properties that were assessed for the free complex. For instance, in the case of MRI contrast agents represented by Gd(III)-chelates bearing hydrophobic substituents, a marked elongation of the exchange lifetime of the coordinated water has invariantly been observed upon formation of supramolecular adducts with serum albumin (3)(4)(5).…”

Cluster analysis of quantitative parametric maps from DCE-MRI: application in evaluating heterogeneity of tumor response to antiangiogenic treatment

“…Even though many efforts have been devoted in the last years to optimize the relaxometric properties and the HSA binding affinities of the CA (in order to attain improved contrast enhancement characteristics) [18][19][20][21], to date, only one blood pool Gd-based CA has entered into clinical practice. We have recently shown that, exploiting the magnetic field-dependence of the Gdcomplexes relaxivity, intermediate MW Gd-based agents show greater performance at 1T [22].…”