title: Development of a three-dimensional model for the N-methyl-D-aspartate NR2A subunit.
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.
authors.affiliation: Istituto di Chimica Farmaceutica e Tossicologica, Università degli Studi di Milano, Viale Abruzzi 42, 20131 Milano, Italy.
authors.forename: Giovanni
authors.initials: G
authors.lastname: Grazioso
authors.forename: Loris
authors.initials: L
authors.lastname: Moretti
authors.forename: Leonardo
authors.initials: L
authors.lastname: Scapozza
authors.forename: Marco
authors.initials: M
authors.lastname: De Amici
authors.forename: Carlo
authors.initials: C
authors.lastname: De Micheli
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D001665:Binding Sites; D018691:Excitatory Amino Acid Antagonists / Q000737:chemistry; D008024:Ligands; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011487:Protein Conformation; D021122:Protein Subunits / Q000737:chemistry; D051381:Rats; D016194:Receptors, N-Methyl-D-Aspartate / Q000008:administration & dosage / Q000737:chemistry*; D017386:Sequence Homology, Amino Acid
chemical_list: D018691:Excitatory Amino Acid Antagonists; D008024:Ligands; C120997:NR2A NMDA receptor; D021122:Protein Subunits; D016194:Receptors, N-Methyl-D-Aspartate