Quantitative Structure−Activity Relationship Modeling of Dopamine D1 Antagonists Using Comparative Molecular Field Analysis, Genetic Algorithms−Partial Least …

B Hoffman, SJ Cho, W Zheng, S Wyrick… - Journal of medicinal …, 1999 - ACS Publications
Several quantitative structure− activity relationship (QSAR) methods were applied to 29
chemically diverse D1 dopamine antagonists. In addition to conventional 3D comparative …

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 …

Homology Modeling of Dopamine D2 and D3 Receptors: Molecular Dynamics Refinement and Docking Evaluation

CBM Platania, S Salomone, GM Leggio, F Drago… - 2012 - journals.plos.org
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 …

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 …

Synthesis, 3D‐QSAR, and Structural Modeling of Benzolactam Derivatives with Binding Affinity for the D2 and D3 Receptors

L López, J Selent, R Ortega, CF Masaguer… - …, 2010 - Wiley Online Library
A series of 37 benzolactam derivatives were synthesized, and their respective affinities for
the dopamine D2 and D3 receptors evaluated. The relationships between structures and …

Dopamine D3 Receptor Ligands with Antagonist Properties

AE Hackling, H Stark - ChemBioChem, 2002 - Wiley Online Library
The dopamine D3 receptor has been recognized to play an important role in the molecular
mechanisms of various neuropsychiatric disorders. The development of new dopamine D3 …

Molecular determinants of selectivity and efficacy at the dopamine D3 receptor

AH Newman, T Beuming, AK Banala… - Journal of medicinal …, 2012 - ACS Publications
The dopamine D3 receptor (D3R) has been implicated in substance abuse and other
neuropsychiatric disorders. The high sequence homology between the D3R and D2R …

Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors

JR Lane, P Chubukov, W Liu, M Canals… - Molecular …, 2013 - ASPET
Small molecules targeting allosteric pockets of G protein–coupled receptors (GPCRs) have
a great therapeutic potential for the treatment of neurologic and other chronic disorders …

A single glycine in extracellular loop 1 is the critical determinant for pharmacological specificity of dopamine D2 and D3 receptors

M Michino, P Donthamsetti, T Beuming, A Banala… - Molecular …, 2013 - ASPET
Subtype-selective agents for the dopamine D3 receptor (D3R) have been considered as
potential medications for drug addiction and other neuropsychiatric disorders. Medicinal …

Structure–Activity Relationships of Privileged Structures Lead to the Discovery of Novel Biased Ligands at the Dopamine D2 Receptor

M Szabo, C Klein Herenbrink… - Journal of medicinal …, 2014 - ACS Publications
Biased agonism at GPCRs highlights the potential for the discovery and design of pathway-
selective ligands and may confer therapeutic advantages to ligands targeting the dopamine …