An integrated fragment based screening approach for the discovery of small molecule modulators of the VWF-GPIbα interaction.
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.
Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, Box 2404, 3001 Heverlee, Belgium.
Rani A
RA
Jose
Arnout
A
Voet
Katleen
K
Broos
Arjen J
AJ
Jakobi
Gilles
G
Bruylants
Brecht
B
Egle
Kam Y J
KY
Zhang
Marc
M
De Maeyer
Hans
H
Deckmyn
Wim M
WM
De Borggraeve
D001665:Binding Sites; D062105:Molecular Docking Simulation; D019038:Platelet Glycoprotein GPIb-IX Complex / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D025941:Protein Interaction Mapping; D017434:Protein Structure, Tertiary; D054852:Small Molecule Libraries / Q000737:chemistry*; D014841:von Willebrand Factor / Q000737:chemistry / Q000378:metabolism*
D019038:Platelet Glycoprotein GPIb-IX Complex; D054852:Small Molecule Libraries; D014841:von Willebrand Factor