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 …
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 …
Comparison of the binding and functional properties of two structurally different D2 dopamine receptor subtype selective compounds
RR Luedtke, Y Mishra, Q Wang, SA Griffin… - ACS chemical …, 2012 - ACS Publications
We previously reported on the synthesis of substituted phenyl-4-hydroxy-1-piperidyl indole
analogues with nanomolar affinity at D2 dopamine receptors, ranging from 10-to 100-fold …
analogues with nanomolar affinity at D2 dopamine receptors, ranging from 10-to 100-fold …
Defining Structure–Functional Selectivity Relationships (SFSR) for a Class of Non-Catechol Dopamine D1 Receptor Agonists
G protein-coupled receptors (GPCRs) are capable of downstream signaling through distinct
noncanonical pathways such as β-arrestins in addition to the canonical G protein-dependent …
noncanonical pathways such as β-arrestins in addition to the canonical G protein-dependent …
CoMFA-based prediction of agonist affinities at recombinant D1 vs D2 dopamine receptors
RE Wilcox, T Tseng, MYK Brusniak… - Journal of medicinal …, 1998 - ACS Publications
We have previously shown that using agonist affinity at recombinant receptors selectively
expressed in clonal cells as the dependent variable in three-dimensional quantitative …
expressed in clonal cells as the dependent variable in three-dimensional quantitative …
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 …
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 …
CoMFA-based prediction of agonist affinities at recombinant wild type versus serine to alanine point mutated D2 dopamine receptors
RE Wilcox, WH Huang, MYK Brusniak… - Journal of medicinal …, 2000 - ACS Publications
Agonist affinity changes dramatically as a result of serine to alanine mutations (S193A,
S194A, and S197A) within the fifth transmembrane region of D2 dopamine receptors and …
S194A, and S197A) within the fifth transmembrane region of D2 dopamine receptors and …
Molecular Modeling of the Three-Dimensional Structure of Dopamine 3 (D3) Subtype Receptor: Discovery of Novel and Potent D3 Ligands through a Hybrid …
J Varady, X Wu, X Fang, J Min, Z Hu… - Journal of medicinal …, 2003 - ACS Publications
The dopamine 3 (D3) subtype receptor has been implicated in several neurological
conditions, and potent and selective D3 ligands may have therapeutic potential for the …
conditions, and potent and selective D3 ligands may have therapeutic potential for the …
Ligand-Optimized Homology Models of D1 and D2 Dopamine Receptors: Application for Virtual Screening
M Kołaczkowski, A Bucki, M Feder… - Journal of chemical …, 2013 - ACS Publications
Recent breakthroughs in crystallographic studies of G protein-coupled receptors (GPCRs),
together with continuous progress in molecular modeling methods, have opened new …
together with continuous progress in molecular modeling methods, have opened new …