Abstract
To understand the structural basis for the Na(+)-sensitivity of ligand binding to dopamine D2-like receptors, using computational analysis in combination with binding assays, we identified interactions critical in propagating the impact of Na(+) on receptor conformations and on the ligand-binding site. Our findings expand the pharmacologically-relevant conformational spectrum of these receptors.
MeSH terms
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Benzamides / chemistry
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Benzamides / pharmacology
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Binding Sites / drug effects
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Dopamine Antagonists / chemistry
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Dopamine Antagonists / pharmacology
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Dose-Response Relationship, Drug
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Ligands
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Molecular Dynamics Simulation
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Molecular Structure
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Protein Conformation / drug effects
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Receptors, Dopamine D2 / chemistry
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Receptors, Dopamine D2 / metabolism*
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Receptors, Dopamine D3 / antagonists & inhibitors
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Receptors, Dopamine D3 / chemistry
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Receptors, Dopamine D3 / metabolism*
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Salicylamides / chemistry
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Salicylamides / pharmacology
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Sodium / chemistry
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Sodium / pharmacology*
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Structure-Activity Relationship
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Sulpiride / chemistry
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Sulpiride / pharmacology
Substances
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Benzamides
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Dopamine Antagonists
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Ligands
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Receptors, Dopamine D2
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Receptors, Dopamine D3
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Salicylamides
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Sulpiride
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Sodium
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eticlopride