Exploring the structural basis and atomistic binding mechanistic of the selective antagonist blockade at D 3 dopamine receptor over D 2 dopamine receptor

Dopamine D3 Receptor Antagonism Reverses the Escalation of Oxycodone Self-administration and Decreases Withdrawal-Induced Hyperalgesia and Irritability-Like Behavior in Oxycodone-Dependent Heterogeneous Stock Rats

(2020) Giordano de Guglielmo et al.   Frontiers in Behavioral Neuroscience

Selective D2 and D3 receptor antagonists oppositely modulate cocaine responses in mice via distinct postsynaptic mechanisms in nucleus accumbens

(2019) Daniel F. Manvich et al.   NEUROPSYCHOPHARMACOLOGY

Identification and structural characterization of deleterious non-synonymous single nucleotide polymorphisms in the human SKP2 gene

(2019) S.M. Zahid Hosen et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Progress in agonist therapy for substance use disorders: Lessons learned from methadone and buprenorphine

(2019) Chloe J. Jordan et al.   NEUROPHARMACOLOGY

The highly selective dopamine D R antagonist, R-VK4-40 attenuates oxycodone reward and augments analgesia in rodents

(2019) Chloe J. Jordan et al.   NEUROPHARMACOLOGY

Antipsychotics: Mechanisms underlying clinical response and side-effects and novel treatment approaches based on pathophysiology

(2019) Stephen J. Kaar et al.   NEUROPHARMACOLOGY

Investigation of novel primary and secondary pharmacophores, and 3-substitution in the linking chain of a series of highly selective and bitopic dopamine D3 receptor antagonists and partial agonists

(2019) Anver Basha Shaik et al.   JOURNAL OF MEDICINAL CHEMISTRY

Newly-developed dopamine D3 receptor antagonists, R-VK4-40 and R-VK4-116, do not potentiate cardiovascular effects of cocaine or oxycodone in rats

(2019) Chloe J Jordan et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

The Molecular Basis of G Protein–Coupled Receptor Activation

(2018) William I. Weis et al.   Annual Review of Biochemistry

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

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

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

(2018) Sheng Wang et al.   NATURE

Cardiovascular safety studies on dopamine D3 receptor antagonists and cocaine

(2018) Nathan M. Appel et al.   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

An Assessment of the Cardiovascular Safety of the Dopamine D 3 Receptor Antagonist GSK598809 with Cocaine in Telemetered Dogs and Rats

(2017) Nathan Appel et al.   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

Y-QA31, a novel dopamine D3 receptor antagonist, exhibits antipsychotic-like properties in preclinical animal models of schizophrenia

(2016) Xue Sun et al.   ACTA PHARMACOLOGICA SINICA

Binding of Pollutants to Biomolecules: A Simulation Study

(2016) Ahmet Yildirim et al.   CHEMICAL RESEARCH IN TOXICOLOGY

GPCR Dynamics: Structures in Motion

(2016) Naomi R. Latorraca et al.   CHEMICAL REVIEWS

Dopamine Targeting Drugs for the Treatment of Schizophrenia: Past, Present and Future

(2016) Peng Li et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

The dopamine D3 receptor, a quarter century later

(2016) Pierre Sokoloff et al.   EUROPEAN JOURNAL OF NEUROSCIENCE

Perspective: Computer simulations of long time dynamics

(2016) Ron Elber   JOURNAL OF CHEMICAL PHYSICS

Highly Selective Dopamine D3 Receptor (D3R) Antagonists and Partial Agonists Based on Eticlopride and the D3R Crystal Structure: New Leads for Opioid Dependence Treatment

(2016) Vivek Kumar et al.   JOURNAL OF MEDICINAL CHEMISTRY

Preferential binding to dopamine D3 over D2 receptors by cariprazine in patients with schizophrenia using PET with the D3/D2 receptor ligand [11C]-(+)-PHNO

(2016) Ragy R. Girgis et al.   PSYCHOPHARMACOLOGY

The selective dopamine D3 receptor antagonist, SR 21502, reduces cue-induced reinstatement of heroin seeking and heroin conditioned place preference in rats

(2015) Ewa Galaj et al.   DRUG AND ALCOHOL DEPENDENCE

Novel dimensions of D3 receptor function: Focus on heterodimerisation, transactivation and allosteric modulation

(2015) Roberto Maggio et al.   EUROPEAN NEUROPSYCHOPHARMACOLOGY

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

Structure-Based Analysis of the Ligand-Binding Mechanism for DhelOBP21, a C-minus Odorant Binding Protein, from Dastarcus helophoroides (Fairmaire; Coleoptera: Bothrideridae)

(2015) Dong-Zhen Li et al.   International Journal of Biological Sciences

Identifying Medication Targets for Psychostimulant Addiction: Unraveling the Dopamine D3 Receptor Hypothesis

(2015) Thomas M. Keck et al.   JOURNAL OF MEDICINAL CHEMISTRY

PLIP: fully automated protein–ligand interaction profiler

(2015) Sebastian Salentin et al.   NUCLEIC ACIDS RESEARCH

GPCRdb: an information system for G protein-coupled receptors

(2015) Vignir Isberg et al.   NUCLEIC ACIDS RESEARCH

Dopamine Receptors and Neurodegeneration

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

Principal component analysis of molecular dynamics: On the use of Cartesian vs. internal coordinates

(2014) Florian Sittel et al.   JOURNAL OF CHEMICAL PHYSICS

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Discovery, Optimization, and Characterization of Novel D2 Dopamine Receptor Selective Antagonists

(2014) Jingbo Xiao et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular pathophysiology of metabolic effects of antipsychotic medications

(2014) Jacob S. Ballon et al.   TRENDS IN ENDOCRINOLOGY AND METABOLISM

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Medication discovery for addiction: Translating the dopamine D3 receptor hypothesis

(2012) Amy Hauck Newman et al.   BIOCHEMICAL PHARMACOLOGY

SPFP: Speed without compromise—A mixed precision model for GPU accelerated molecular dynamics simulations

(2012) Scott Le Grand et al.   COMPUTER PHYSICS COMMUNICATIONS

Biophysical Limits of Protein–Ligand Binding

(2012) Richard D. Smith et al.   Journal of Chemical Information and Modeling

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Molecular Determinants of Selectivity and Efficacy at the Dopamine D3 Receptor

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

Selectivity and activation of dopamine D3R from molecular dynamics

(2012) Zhiwei Feng et al.   JOURNAL OF MOLECULAR MODELING

Pharmacological treatment of schizophrenia: a critical review of the pharmacology and clinical effects of current and future therapeutic agents

(2012) S Miyamoto et al.   MOLECULAR PSYCHIATRY

Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III

(2012) G. A. Bezerra et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Recent Advances in the Development of Dopamine D3 Receptor Antagonists: a Medicinal Chemistry Perspective

(2011) Fabrizio Micheli   ChemMedChem

Dopamine D3 receptor antagonist SB-277011A inhibits methamphetamine self-administration and methamphetamine-induced reinstatement of drug-seeking in rats

(2011) Amanda E. Higley et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

The Physiology, Signaling, and Pharmacology of Dopamine Receptors

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

Current perspectives on selective dopamine D3 receptor antagonists as pharmacotherapeutics for addictions and related disorders

(2010) Christian A. Heidbreder et al.   Annals of the New York Academy of Sciences

Predictors and clinical consequences of non-adherence with antipsychotic medication in the outpatient treatment of schizophrenia

(2010) Diego Novick et al.   PSYCHIATRY RESEARCH

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

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

Hydration Site Thermodynamics Explain SARs for Triazolylpurines Analogues Binding to the A2A Receptor

(2010) Christopher Higgs et al.   ACS Medicinal Chemistry Letters

High-energy water sites determine peptide binding affinity and specificity of PDZ domains

(2009) Thijs Beuming et al.   PROTEIN SCIENCE