A Complete Assessment of Dopamine Receptor- Ligand Interactions through Computational Methods

Advances and challenges in the search for D 2 and D 3 dopamine receptor-selective compounds

(2018) Amy E. Moritz et al.   CELLULAR SIGNALLING

In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinson’s Disease

(2018) Agostinho Lemos et al.   Current Neuropharmacology

PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions

(2018) Sivakumar Prasanth Kumar   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Dopamine, the antipsychotic molecule: A perspective on mechanisms underlying antipsychotic response variability

(2018) Davide Amato et al.   NEUROSCIENCE AND BIOBEHAVIORAL REVIEWS

Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone

(2018) Sheng Wang et al.   NATURE

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein–protein interaction inhibitors

(2018) Daniela Trisciuzzi et al.   DRUG DISCOVERY TODAY

A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR

(2018) Abdalkarim Tanina et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

A QM protein–ligand investigation of antipsychotic drugs with the dopamine D2 Receptor (D2R)

(2017) Ramin Ekhteiari Salmas et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A combined Fisher and Laplacian score for feature selection in QSAR based drug design using compounds with known and unknown activities

(2017) Mohammad Amin Valizade Hasanloei et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Return of D4 Dopamine Receptor Antagonists in Drug Discovery

(2017) Craig W. Lindsley et al.   JOURNAL OF MEDICINAL CHEMISTRY

Functional roles of T3.37 and S5.46 in the activation mechanism of the dopamine D1 receptor

(2017) Estefanía A. Hugo et al.   JOURNAL OF MOLECULAR MODELING

In silico structure-based approaches to discover protein-protein interaction-targeting drugs

(2017) Woong-Hee Shin et al.   METHODS

D4dopamine receptor high-resolution structures enable the discovery of selective agonists

(2017) Sheng Wang et al.   SCIENCE

A systematic analysis of atomic protein–ligand interactions in the PDB

(2017) Renato Ferreira de Freitas et al.   MedChemComm

Extrapyramidal side effects of antipsychotics are linked to their association kinetics at dopamine D2 receptors

(2017) David A. Sykes et al.   Nature Communications

Bridging computational modeling with amino acid replacements to investigate GHS-R1a-peptidomimetic recognition

(2016) Jinqiang Hou et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Atomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanism

(2016) Ramin Ekhteiari Salmas et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Current drug treatments targeting dopamine D3 receptor

(2016) Gian Marco Leggio et al.   PHARMACOLOGY & THERAPEUTICS

Polypharmacology of dopamine receptor ligands

(2016) S. Butini et al.   PROGRESS IN NEUROBIOLOGY

Examining the Effects of Sodium Ions on the Binding of Antagonists to Dopamine D2 and D3 Receptors

(2016) Claire L. Newton et al.   PLoS One

Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of Human Dopamine D2 Receptor Using Computational and Experimental Techniques

(2015) Serdar Durdagi et al.   ACS Chemical Neuroscience

Identification of G Protein-Biased Agonists That Fail To Recruit β-Arrestin or Promote Internalization of the D1 Dopamine Receptor

(2015) Jennie L. Conroy et al.   ACS Chemical Neuroscience

Treatment of early non-response in patients with schizophrenia: assessing the efficacy of antipsychotic dose escalation

(2015) Antony Loebel et al.   BMC Psychiatry

Dopamine signaling regulates the projection patterns in the mouse chiasm

(2015) Tingting Chen et al.   BRAIN RESEARCH

Functional importance of two conserved residues in intracellular loop 1 and transmembrane region 2 of Family A GPCRs: Insights from ligand binding and signal transduction responses of D1 and D5 dopaminergic receptor mutants

(2015) Boyang Zhang et al.   CELLULAR SIGNALLING

In-silico analysis of the structure and binding site features of an α-expansin protein from mountain papaya fruit (VpEXPA2), through molecular modeling, docking, and dynamics simulation studies

(2015) Carlos Gaete-Eastman et al.   JOURNAL OF MOLECULAR MODELING

Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions

(2015) Ramin Ekhteiari Salmas et al.   MOLECULAR DIVERSITY

Dopamine Receptors and Neurodegeneration

(2015) Claudia Rangel-Barajas et al.   Aging and Disease

Identification of a new selective dopamine D4 receptor ligand

(2014) Dinithia Sampson et al.   BIOORGANIC & MEDICINAL CHEMISTRY

The ligand binding ability of dopamine D1 receptors synthesized using a wheat germ cell-free protein synthesis system with liposomes

(2014) Eiji Arimitsu et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

SKF-83959 is not a highly-biased functionally selective D1 dopamine receptor ligand with activity at phospholipase C

(2014) Sang-Min Lee et al.   NEUROPHARMACOLOGY

Active-State Model of a Dopamine D2 Receptor - Gαi Complex Stabilized by Aripiprazole-Type Partial Agonists

(2014) Ralf C. Kling et al.   PLoS One

Structural features of the G-protein/GPCR interactions

(2013) Irina S. Moreira   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

6-Bromo-8-(4-[3H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: A Powerful Tool for Studying Orphan G Protein-Coupled Receptor GPR35

(2013) Dominik Thimm et al.   JOURNAL OF MEDICINAL CHEMISTRY

Determination of key receptor–ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model

(2013) Vladimir Sukalovic et al.   JOURNAL OF MOLECULAR MODELING

History of the Discovery of the Antipsychotic Dopamine D2 Receptor: A Basis for the Dopamine Hypothesis of Schizophrenia

(2013) Bertha K. Madras   Journal of the History of the Neurosciences

Molecular Determinants of Selectivity and Efficacy at the Dopamine D3 Receptor

(2012) Amy Hauck Newman et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

(2012) Chiara Bianca Maria Platania et al.   PLoS One

Anisotropic Solvent Model of the Lipid Bilayer. 2. Energetics of Insertion of Small Molecules, Peptides, and Proteins in Membranes

(2011) Andrei L. Lomize et al.   Journal of Chemical Information and Modeling

Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKaValues

(2011) Chresten R. Søndergaard et al.   Journal of Chemical Theory and Computation

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

N-(3-Fluoro-4-(4-(2-methoxy or 2,3-dichlorophenyl)piperazine-1-yl)butyl)arylcarboxamides as Selective Dopamine D3 Receptor Ligands: Critical Role of the Carboxamide Linker for D3 Receptor Selectivity

(2011) Ashwini K. Banala et al.   JOURNAL OF MEDICINAL CHEMISTRY

BINANA: A novel algorithm for ligand-binding characterization

(2011) Jacob D. Durrant et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega

(2011) F. Sievers et al.   Molecular Systems Biology

OPM database and PPM web server: resources for positioning of proteins in membranes

(2011) Mikhail A. Lomize et al.   NUCLEIC ACIDS RESEARCH

The Physiology, Signaling, and Pharmacology of Dopamine Receptors

(2011) J.-M. Beaulieu et al.   PHARMACOLOGICAL REVIEWS

SKF 38393 and SCH 23390 Inhibit Reuptake of Serotonin by Rat Hypothalamic Synaptosomes

(2011) M.A. Zarrindast et al.   PHARMACOLOGY

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Cation-π and anion-π interactions

(2011) Antonio Frontera et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Subtype Selectivity of Dopamine Receptor Ligands: Insights from Structure and Ligand-Based Methods

(2010) Qi Wang et al.   Journal of Chemical Information and Modeling

Transmembrane Segment Five Serines of the D4 Dopamine Receptor Uniquely Influence the Interactions of Dopamine, Norepinephrine, and Ro10-4548

(2010) D. F. Cummings et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

(2010) E. Y. T. Chien et al.   SCIENCE

Engineering a GPCR−Ligand Pair That Simulates the Activation of D2L by Dopamine

(2009) Nuska Tschammer et al.   ACS Chemical Neuroscience

The consolidation of neuroleptic therapy: Janssen, the discovery of haloperidol and its introduction into clinical practice

(2009) Francisco López-Muñoz et al.   BRAIN RESEARCH BULLETIN

Mechanisms of Action of Antipsychotic Drugs of Different Classes, Refractoriness to Therapeutic Effects of Classical Neuroleptics, and Individual Variation in Sensitivity to their Actions: PART II

(2009) R. Miller   Current Neuropharmacology

A Conserved Aromatic Lock for the Tryptophan Rotameric Switch in TM-VI of Seven-transmembrane Receptors

(2009) Birgitte Holst et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The structure and function of G-protein-coupled receptors

(2009) Daniel M. Rosenbaum et al.   NATURE

Cation-Induced π-Stacking

(2008) Eric Bosch et al.   JOURNAL OF ORGANIC CHEMISTRY

Dopamine D1receptor ligands: Where are we now and where are we going

(2008) Jing Zhang et al.   MEDICINAL RESEARCH REVIEWS

Dopamine: the rewarding years

(2006) Charles A Marsden   BRITISH JOURNAL OF PHARMACOLOGY