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.
Development of a Three-Dimensional Model for the N-Methyl-D-aspartate NR2A Subunit / G. Grazioso, L. Moretti, L. Scapozza, M. De Amici, C. De Micheli. - In: JOURNAL OF MEDICINAL CHEMISTRY. - ISSN 0022-2623. - 48:17(2005), pp. 5489-5494.
Development of a Three-Dimensional Model for the N-Methyl-D-aspartate NR2A Subunit
G. GraziosoPrimo
;M. De AmiciPenultimo
;C. De MicheliUltimo
2005
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.
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