Homology modeling, molecular dynamic simulation, and docking based binding site analysis of human dopamine (D4) receptor

M Khoddami, H Nadri, A Moradi… - Journal of molecular …, 2015 - Springer
Human dopamine D4 receptor is a GPCR target in the treatment of neurological and
psychiatric conditions such as schizophrenia and Parkinson's disease. The X-ray structure of …

Conformational analysis and molecular modeling of 1-phenyl-, 4-phenyl-, and 1-benzyl-1, 2, 3, 4-tetrahydroisoquinolines as D1 dopamine receptor ligands

PS Charifson, JP Bowen, SD Wyrick… - Journal of medicinal …, 1989 - ACS Publications
Conformational studies on a series of 1-phenyl-, 4-phenyl-, and l-benzyl-l, 2, 3, 4-
tetrahydroisoquinolines that possess an identical substituent pattern to the prototypical Dx …

Structure− activity relationships for a novel series of dopamine D2-like receptor ligands based on N-substituted 3-aryl-8-azabicyclo [3.2. 1] octan-3-ol

NM Paul, M Taylor, R Kumar… - Journal of medicinal …, 2008 - ACS Publications
Discovering dopamine D2-like receptor subtype-selective ligands has been a focus of
significant investigation. The D2R-selective antagonist 3-[4-(4-chlorophenyl)-4 …

Mapping the Catechol Binding Site in Dopamine D1 Receptors: Synthesis and Evaluation of Two Parallel Series of Bicyclic Dopamine Analogues

LA Bonner, U Laban, BR Chemel, JI Juncosa… - …, 2011 - Wiley Online Library
A novel class of isochroman dopamine analogues, originally reported by Abbott
Laboratories, have> 100‐fold selectivity for D1‐like over D2‐like receptors. We synthesized …

[HTML][HTML] The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors

RK Verma, AM Abramyan, M Michino… - PLoS Computational …, 2018 - journals.plos.org
The dopamine D2 and D3 receptors (D2R and D3R) are important targets for antipsychotics
and for the treatment of drug abuse. SB269652, a bitopic ligand that simultaneously binds …

Homology model versus X-ray structure in receptor-based drug design: A retrospective analysis with the dopamine D3 receptor

N Levoin, T Calmels, S Krief, D Danvy… - ACS Medicinal …, 2011 - ACS Publications
Structure-based design methods commonly used in medicinal chemistry rely on a three-
dimensional representation of the receptor. However, few crystal structures are solved in …

Investigation of the binding and functional properties of extended length D3 dopamine receptor-selective antagonists

CA Furman, RA Roof, AE Moritz, BN Miller… - European …, 2015 - Elsevier
The D 3 dopamine receptor represents an important target in drug addiction in that reducing
receptor activity may attenuate the self-administration of drugs and/or disrupt drug or cue …

Binding interactions of dopamine and apomorphine in D2High and D2Low states of human dopamine D2 receptor using computational and experimental techniques

S Durdagi, RE Salmas, M Stein… - ACS Chemical …, 2016 - ACS Publications
We have recently reported G-protein coupled receptor (GPCR) model structures for the
active and inactive states of the human dopamine D2 receptor (D2R) using adrenergic …

Advances in the development and application of computational methodologies for structural modeling of G-protein-coupled receptors

JC Mobarec, M Filizola - Expert opinion on drug discovery, 2008 - Taylor & Francis
Background: Despite the large amount of experimental data accumulated in the past decade
on G-protein-coupled receptor (GPCR) structure and function, understanding of the …

Dopamine D2 receptors dimers: how can we pharmacologically target them?

M Carli, S Kolachalam, S Aringhieri… - Current …, 2018 - ingentaconnect.com
Background: Dopamine D2 and D3 receptors can form homo-and heterodimers and are
important targets in Schizophrenia and Parkinson's. Recently, many efforts have been made …