Development of a Three-Dimensional Model for the N-Methyl-d-aspartate NR2A Subunit

NR2 subunits of N-methyl-d-aspartic acid (NMDA) receptors are known to bind the neurotransmitter glutamate, competitive agonists, and antagonists. Since crystallographic data of these proteins are not available, we built a homology model of the ligand binding domain of the NR2A subunit. A consensus...

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Bibliographic Details
Published in:Journal of medicinal chemistry 2005-08, Vol.48 (17), p.5489-5494
Main Authors: Grazioso, Giovanni, Moretti, Loris, Scapozza, Leonardo, De Amici, Marco, De Micheli, Carlo
Format: Article
Language:English
Subjects:
Amino Acid Sequence
Animals
Binding Sites
Biological and medical sciences
Excitatory Amino Acid Antagonists - chemistry
Glutamatergic system (aspartate and other excitatory aminoacids)
Ligands
Medical sciences
Models, Molecular
Molecular Sequence Data
Neuropharmacology
Neurotransmitters. Neurotransmission. Receptors
Pharmacology. Drug treatments
Protein Conformation
Protein Subunits - chemistry
Rats
Receptors, N-Methyl-D-Aspartate - administration & dosage
Receptors, N-Methyl-D-Aspartate - chemistry
Sequence Homology, Amino Acid
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Summary:NR2 subunits of N-methyl-d-aspartic acid (NMDA) receptors are known to bind the neurotransmitter glutamate, competitive agonists, and antagonists. Since crystallographic data of these proteins are not available, we built a homology model of the ligand binding domain of the NR2A subunit. A consensus binding mode of selected AP5-like NMDA antagonists has been ascertained using molecular docking. The present 3D model gives insights for the design of new NMDA subtype selective compounds.
ISSN:0022-2623
1520-4804
DOI:10.1021/jm050174x