CH···O and CH···N Hydrogen Bonds in Ligand Design: A Novel Quinazolin-4-ylthiazol-2-ylamine Protein Kinase Inhibitor
| Autor: | Hayley Binch, Ernst ter Haar, David Kay, Pan Li, Sanjay Patel, Albert C. Pierce |
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| Rok vydání: | 2005 |
| Předmět: |
Models
Molecular medicine.drug_class Stereochemistry Molecular Conformation macromolecular substances Ligands Chemical synthesis Glycogen Synthase Kinase 3 Structure-Activity Relationship chemistry.chemical_compound Isomerism Drug Discovery medicine Protein kinase A biology Bicyclic molecule Hydrogen bond Aryl Hydrogen Bonding Protein kinase inhibitor Ligand (biochemistry) Thiazoles chemistry Enzyme inhibitor Drug Design Quinazolines biology.protein Molecular Medicine |
| Zdroj: | Journal of Medicinal Chemistry. 48:1278-1281 |
| ISSN: | 1520-4804 0022-2623 |
| DOI: | 10.1021/jm0492249 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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