Modeling of ligand binding to dopamine D2 receptor

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چکیده

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Modeling of ligand binding to the dopamine D2 receptor

The dopaminic receptors for a long time have been major targets for the development of new small molecules with high affinity and selectivity to treat psychiatric disorders, neurodegeneration, and drug abuse, and in other therapeutic areas. In the absence of a 3D structure for the human dopamine D2 (HDD2) receptor, the efforts for the discovery and design of new potential drugs rely on comparat...

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Functional selectivity (or biased agonism) is a property exhibited by some G protein-coupled receptor (GPCR) ligands, which results in the modulation of a subset of a receptor's signaling capabilities and more precise control over complex biological processes. The dopamine D2 receptor (D2R) exhibits pleiotropic responses to the biogenic amine dopamine (DA) to mediate complex central nervous sys...

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Modeling and mutational analysis of a putative sodium-binding pocket on the dopamine D2 receptor.

A homology model of the dopamine D2 receptor was constructed based on the crystal structure of rhodopsin. A putative sodium-binding pocket identified in an earlier model (PDB ) was revised. It is now defined by Asn-419 backbone oxygen at the apex of a pyramid and Asp-80, Ser-121, Asn-419, and Ser-420 at each vertex of the planar base. Asn-423 stabilizes this pocket through hydrogen bonds to two...

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ژورنال

عنوان ژورنال: Journal of the Serbian Chemical Society

سال: 2014

ISSN: 0352-5139,1820-7421

DOI: 10.2298/jsc130208046o