An integrated approach comprising STD NMR screening, pharmacophore based analogue selection and a bioassay is presented for the discovery of a stabilizer of the clinically relevant VWF–GPIbα protein–protein interaction.
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An integrated fragment based screening approach for the discovery of small molecule modulators of the VWF–GPIbα interaction
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a
Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, Box 2404, 3001 Heverlee, Belgium
E-mail: wim.deborggraeve@chem.kuleuven.be ;
Fax: +32 16327990 ;
Tel: +32 16327693
E-mail: wim.deborggraeve@chem.kuleuven.be ;
Fax: +32 16327990 ;
Tel: +32 16327693
b
Laboratory for Biomolecular Modelling, Department of Chemistry, Division of Biochemistry, Molecular and Structural Biology, KU Leuven, Celestijnenlaan 200G, Bus 2403, 3001 Heverlee, Belgium
c
Zhang Initiative Research Unit, Advanced Science Institute, RIKEN, 2-1 Hirosawa, Wako, Japan
d
Laboratory for Thrombosis Research, KU Leuven Campus Kortrijk, E. Sabbelaan 53, 8500 Kortrijk, Belgium
e
Crystal & Structural Chemistry, Bijvoet Center for Biomolecular Research, Department of Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands
f
Ingénierie des Nanosystèmes Moléculaires CP165/64, Université Libre de Bruxelles 50, Av. F. D. Roosevelt, 1050 Brussels, Belgium
Chem. Commun., 2012,48, 11349-11351
DOI: 10.1039/C2CC35269A
Received 21 Jul 2012, Accepted 01 Oct 2012
First published online 16 Oct 2012
Chemical Communications
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