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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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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cited_by cdi_FETCH-LOGICAL-a412t-d08e19eb82159fce995ce4e4c56ab57a54da13ee5c2a3a7eb29997ab407ffc103
cites cdi_FETCH-LOGICAL-a412t-d08e19eb82159fce995ce4e4c56ab57a54da13ee5c2a3a7eb29997ab407ffc103
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container_issue 17
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container_title Journal of medicinal chemistry
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creator Grazioso, Giovanni
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De Micheli, Carlo
description 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.
doi_str_mv 10.1021/jm050174x
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source American Chemical Society:Jisc Collections:American Chemical Society Read & Publish Agreement 2022-2024 (Reading list)
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
title Development of a Three-Dimensional Model for the N-Methyl-d-aspartate NR2A Subunit
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