A complete assessment of dopamine receptor-ligand interactions through computational methods
B Bueschbell, CAV Barreto, AJ Preto, AC Schiedel… - Molecules, 2019 - mdpi.com
Background: Selectively targeting dopamine receptors (DRs) has been a persistent
challenge in the last years for the development of new treatments to combat the large variety …
challenge in the last years for the development of new treatments to combat the large variety …
Subtype selectivity of dopamine receptor ligands: insights from structure and ligand-based methods
Subtype selective dopamine receptor ligands have long been sought after as therapeutic
and/or imaging agents for the treatment and monitoring of neurologic disorders. We report …
and/or imaging agents for the treatment and monitoring of neurologic disorders. We report …
Homology Modeling of Dopamine D2 and D3 Receptors: Molecular Dynamics Refinement and Docking Evaluation
Dopamine (DA) receptors, a class of G-protein coupled receptors (GPCRs), have been
targeted for drug development for the treatment of neurological, psychiatric and ocular …
targeted for drug development for the treatment of neurological, psychiatric and ocular …
Modeling the Similarity and Divergence of Dopamine D2-like Receptors and Identification of Validated Ligand−Receptor Complexes
Focusing on the similarity and divergence of GPCR subtypes and their ligand interactions,
we generated dopamine D2, D3, and D4 receptor models based on the rhodopsin crystal …
we generated dopamine D2, D3, and D4 receptor models based on the rhodopsin crystal …
Determination of key receptor–ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model
V Sukalovic, V Soskic, M Sencanski, D Andric… - Journal of molecular …, 2013 - Springer
Interest in structure-based G-protein-coupled receptor (GPCR) ligand discovery is huge,
given that almost 30% of all approved drugs belong to this category of active compounds …
given that almost 30% of all approved drugs belong to this category of active compounds …
Computational elucidation of the structural basis of ligand binding to the dopamine 3 receptor through docking and homology modeling
JV Hobrath, S Wang - Journal of medicinal chemistry, 2006 - ACS Publications
The dopamine subtype 3 receptor (D3) is a promising therapeutic target for the treatment of
cocaine addiction, schizophrenia, Parkinson's disease, and other disorders, but little is …
cocaine addiction, schizophrenia, Parkinson's disease, and other disorders, but little is …
Investigation of D2 Receptor–Agonist Interactions Using a Combination of Pharmacophore and Receptor Homology Modeling
M Malo, L Brive, K Luthman, P Svensson - ChemMedChem, 2012 - Wiley Online Library
A combined modeling approach was used to identify structural factors that underlie the
structure–activity relationships (SARs) of full dopamine D2 receptor agonists and structurally …
structure–activity relationships (SARs) of full dopamine D2 receptor agonists and structurally …
Dopamine D1 receptor-agonist interactions: A mutagenesis and homology modeling study
S Mente, E Guilmette, M Salafia, D Gray - Bioorganic & medicinal chemistry …, 2015 - Elsevier
The dopamine D1 receptor is a G protein-coupled receptor that regulates intracellular
signaling via agonist activation. Although the number of solved GPCR X-ray structures has …
signaling via agonist activation. Although the number of solved GPCR X-ray structures has …
Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions
Homology model structures of the dopamine D2 receptor (D2R) were generated starting
from the active and inactive states of\upbeta β 2-adrenergic crystal structure templates. To …
from the active and inactive states of\upbeta β 2-adrenergic crystal structure templates. To …
The dopamine D2 receptor dimer and its interaction with homobivalent antagonists: homology modeling, docking and molecular dynamics
In order to apply structure-based drug design techniques to G protein-coupled receptor
complexes, it is essential to model their 3D structure and to identify regions that are suitable …
complexes, it is essential to model their 3D structure and to identify regions that are suitable …