CH...O and CH...N hydrogen bonds in ligand design: A novel quinazolin-4-ylthiazol-2-ylamine protein kinase inhibitor

Aryl CH hydrogen bonds play an important role in the binding of several analogues of a pyrazol-3-ylquinazolin-4-ylamine inhibitor of glycogen synthase kinase 3 (GSK3). Understanding the importance of these CH...O and CH...N hydrogen bonds allowed the design of a novel quinazolin-4-ylthiazol-2-ylamin...

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Veröffentlicht in:	Journal of medicinal chemistry 2005-02, Vol.48 (4), p.1278-1281
Hauptverfasser:	PIERCE, Albert C, TER HAAR, Ernst, BINCH, Hayley M, KAY, David P, PATEL, Sanjay R, PAN LI
Format:	Artikel
Sprache:	eng
Schlagworte:	Biological and medical sciences Drug Design Glycogen Synthase Kinase 3 - antagonists & inhibitors Glycogen Synthase Kinase 3 - chemistry Hydrogen Bonding Isomerism Ligands Medical sciences Miscellaneous Models, Molecular Molecular Conformation Pharmacology. Drug treatments Quinazolines - chemical synthesis Quinazolines - chemistry Structure-Activity Relationship Thiazoles - chemical synthesis Thiazoles - chemistry
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Beschreibung
Zusammenfassung:	Aryl CH hydrogen bonds play an important role in the binding of several analogues of a pyrazol-3-ylquinazolin-4-ylamine inhibitor of glycogen synthase kinase 3 (GSK3). Understanding the importance of these CH...O and CH...N hydrogen bonds allowed the design of a novel quinazolin-4-ylthiazol-2-ylamine inhibitor of GSK3 with a structurally confirmed CH...O hydrogen bond to the protein.
ISSN:	0022-2623 1520-4804