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Default Fast NMR methods for measuring in direct and/or competition mode the dissociation binding constants of chemical fragments interacting with a receptor.

Fast NMR methods for measuring in direct and/or competition mode the dissociation binding constants of chemical fragments interacting with a receptor.

Related Articles Fast NMR methods for measuring in direct and/or competition mode the dissociation binding constants of chemical fragments interacting with a receptor.

ChemMedChem. 2019 Mar 29;:

Authors: Rak A, Dalvit C, Parent A, Vallée F, Mathieu M

Abstract
Ligand based NMR screening represents a powerful method in fragment based drug discovery for the identification of chemical matter interacting with the receptor of interest. The large dynamic range of these methods allows the detection of very weak binding affinity ligands. However, the methodology has not been extensively used for quantifying the strength of these interactions. This knowledge is important for ranking the fragments according to their binding strength and for prioritizing structure based and medicinal chemistry activities. Rapid NMR methods for measuring the dissociating binding constant in direct and competition mode are here presented. The theory of the methods along with their applications to the binding affinity measurements of several ligands of the heat shock protein 90 (HSP90) are reported.


PMID: 30925009 [PubMed - as supplied by publisher]



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