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 …
Investigation of D1 Receptor–Agonist Interactions and D1/D2 Agonist Selectivity Using a Combination of Pharmacophore and Receptor Homology Modeling
M Malo, L Brive, K Luthman, P Svensson - ChemMedChem, 2012 - Wiley Online Library
The aim of this study was to use a combined structure and pharmacophore modeling
approach to extract information regarding dopamine D1 receptor agonism and D1/D2 …
approach to extract information regarding dopamine D1 receptor agonism and D1/D2 …
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 …
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 …
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 …
Selective Pharmacophore Models of Dopamine D1 and D2 Full Agonists Based on Extended Pharmacophore Features
M Malo, L Brive, K Luthman… - ChemMedChem …, 2010 - Wiley Online Library
This study is focused on the identification of structural features that determine the selectivity
of dopamine receptor agonists toward D1 and D2 receptors. Selective pharmacophore …
of dopamine receptor agonists toward D1 and D2 receptors. Selective pharmacophore …
Factors governing selectivity of dopamine receptor binding compounds for D2R and D3R subtypes
HS Hayatshahi, RR Luedtke, M Taylor… - Journal of Chemical …, 2021 - ACS Publications
Targeting the D3 dopamine receptor (D3R) is a promising pharmacotherapeutic strategy for
the treatment of many disorders. The structure of the D3R is similar to the D2 dopamine …
the treatment of many disorders. The structure of the D3R is similar to the D2 dopamine …
A pharmacophore model for dopamine D4 receptor antagonists
J Boström, K Gundertofte, T Liljefors - Journal of Computer-Aided …, 2000 - Springer
A pharmacophore model for dopamine D 4 antagonists has been developed on the basis of
a previously reported dopamine D 2 model. By using exhaustive conformational analyses …
a previously reported dopamine D 2 model. By using exhaustive conformational analyses …
A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists
The molecular alignments obtained from a previously reported pharmacophore model have
been employed in a three-dimensional quantitative structure− activity relationship (3D …
been employed in a three-dimensional quantitative structure− activity relationship (3D …
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 …