Development of a three-dimensional model for the N-methyl-D-aspartate NR2A subunit

Giovanni Grazioso; Loris Moretti; Leonardo Scapozza; Marco De Amici; Carlo De Micheli

doi:10.1021/jm050174x

Development of a three-dimensional model for the N-methyl-D-aspartate NR2A subunit

J Med Chem. 2005 Aug 25;48(17):5489-94. doi: 10.1021/jm050174x.

Authors

Giovanni Grazioso¹, Loris Moretti, Leonardo Scapozza, Marco De Amici, Carlo De Micheli

Affiliation

¹ Istituto di Chimica Farmaceutica e Tossicologica, Università degli Studi di Milano, Viale Abruzzi 42, 20131 Milano, Italy.

PMID: 16107147
DOI: 10.1021/jm050174x

Abstract

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Amino Acid Sequence
Animals
Binding Sites
Excitatory Amino Acid Antagonists / chemistry
Ligands
Models, Molecular
Molecular Sequence Data
Protein Conformation
Protein Subunits / chemistry
Rats
Receptors, N-Methyl-D-Aspartate / administration & dosage
Receptors, N-Methyl-D-Aspartate / chemistry*
Sequence Homology, Amino Acid

Substances

Excitatory Amino Acid Antagonists
Ligands
NR2A NMDA receptor
Protein Subunits
Receptors, N-Methyl-D-Aspartate