1207726-01-9Relevant academic research and scientific papers
Off-rate screening (ORS) by surface plasmon resonance. An efficient method to kinetically sample hit to lead chemical space from unpurified reaction products
Murray, James B.,Roughley, Stephen D.,Matassova, Natalia,Brough, Paul A.
, p. 2845 - 2850 (2014/05/06)
The dissociation rate constant kd (off-rate) is the component of ligand-protein binding with the most significant potential to enhance compound potency. Here we provide theoretical and empirical data to show that this parameter can be determined accurately from unpurified reaction products containing designed test compounds. This screening protocol is amenable to parallel chemistry, provides efficiencies of time and materials, and complements existing methodologies for the hit-to-lead phase in fragment-based drug discovery.
Structure-guided design of α-amino acid-derived Pin1 inhibitors
Potter, Andrew J.,Ray, Stuart,Gueritz, Louisa,Nunns, Claire L.,Bryant, Christopher J.,Scrace, Simon F.,Matassova, Natalia,Baker, Lisa,Dokurno, Pawel,Robinson, David A.,Surgenor, Allan E.,Davis, Ben,Murray, James B.,Richardson, Christine M.,Moore, Jonathan D.
scheme or table, p. 586 - 590 (2010/04/26)
The peptidyl prolyl cis/trans isomerase Pin1 is a promising molecular target for anti-cancer therapeutics. Here we report the structure-guided evolution of an indole 2-carboxylic acid fragment hit into a series of α-benzimidazolyl-substituted amino acids.
