Mechanistic insights into the allosteric modulation of opioid receptors by sodium ions.

PubWeight™: 0.91‹?›

🔗 View Article (PMC 4131901)

Published in Biochemistry on July 29, 2014

Authors

Yi Shang1, Valerie LeRouzic, Sebastian Schneider, Paola Bisignano, Gavril W Pasternak, Marta Filizola

Author Affiliations

1: Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai , New York, New York 10029, United States.

Articles citing this

Discovery, synthesis, and molecular pharmacology of selective positive allosteric modulators of the δ-opioid receptor. J Med Chem (2015) 0.86

Computational approaches to detect allosteric pathways in transmembrane molecular machines. Biochim Biophys Acta (2016) 0.83

Modulation of GPCRs by monovalent cations and anions. Naunyn Schmiedebergs Arch Pharmacol (2014) 0.80

G-protein coupled receptors: advances in simulation and drug discovery. Curr Opin Struct Biol (2016) 0.80

Structural basis for Na(+)-sensitivity in dopamine D2 and D3 receptors. Chem Commun (Camb) (2015) 0.79

On the modularity of the intrinsic flexibility of the µ opioid receptor: a computational study. PLoS One (2014) 0.78

Structural Mechanisms of Voltage Sensing in G Protein-Coupled Receptors. Structure (2016) 0.78

Opioid receptors: Structural and mechanistic insights into pharmacology and signaling. Eur J Pharmacol (2015) 0.77

Eukaryotic G protein-coupled receptors as descendants of prokaryotic sodium-translocating rhodopsins. Biol Direct (2015) 0.76

Molecular switches of the κ opioid receptor triggered by 6'-GNTI and 5'-GNTI. Sci Rep (2016) 0.75

Proposed Mode of Binding and Action of Positive Allosteric Modulators at Opioid Receptors. ACS Chem Biol (2016) 0.75

Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled Receptor. J Phys Chem B (2016) 0.75

Membrane potentials regulating GPCRs: insights from experiments and molecular dynamics simulations. Curr Opin Pharmacol (2016) 0.75

Homology modeling, docking, and molecular dynamics simulation of the receptor GALR2 and its interactions with galanin and a positive allosteric modulator. J Mol Model (2016) 0.75

Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonist. J Comput Aided Mol Des (2017) 0.75

Articles cited by this

Protein measurement with the Folin phenol reagent. J Biol Chem (1951) 1743.91

VMD: visual molecular dynamics. J Mol Graph (1996) 117.02

Scalable molecular dynamics with NAMD. J Comput Chem (2005) 59.49

SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling. Electrophoresis (1997) 57.27

CHARMM: the biomolecular simulation program. J Comput Chem (2009) 27.71

GROMACS: fast, flexible, and free. J Comput Chem (2005) 27.22

Crystal structure of the β2 adrenergic receptor-Gs protein complex. Nature (2011) 13.92

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields. J Comput Chem (2010) 8.79

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. J Med Chem (2006) 8.75

Crystal structure of the µ-opioid receptor bound to a morphinan antagonist. Nature (2012) 6.18

Structure of the human κ-opioid receptor in complex with JDTic. Nature (2012) 5.18

Structural basis for allosteric regulation of GPCRs by sodium ions. Science (2012) 3.40

Structure of the agonist-bound neurotensin receptor. Nature (2012) 3.23

Allosteric binding sites on cell-surface receptors: novel targets for drug discovery. Nat Rev Drug Discov (2002) 2.85

Practically useful: what the Rosetta protein modeling suite can do for you. Biochemistry (2010) 2.56

Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules. J Comput Aided Mol Des (2007) 2.46

High-resolution crystal structure of human protease-activated receptor 1. Nature (2012) 2.44

Opiate agonists and antagonists discriminated by receptor binding in brain. Science (1973) 2.27

Molecular control of δ-opioid receptor signalling. Nature (2014) 2.22

How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms. J Mol Biol (2000) 2.18

Structural insights into agonist-induced activation of G-protein-coupled receptors. Curr Opin Struct Biol (2011) 1.82

Mu opioids and their receptors: evolution of a concept. Pharmacol Rev (2013) 1.66

An aspartate conserved among G-protein receptors confers allosteric regulation of alpha 2-adrenergic receptors by sodium. J Biol Chem (1990) 1.61

Identification of novel high affinity opiate receptor binding in rat brain. Nature (1975) 1.48

Identification of essential residues involved in the allosteric modulation of the human A(3) adenosine receptor. Mol Pharmacol (2003) 1.46

Selective enhancement of [3H]opiate agonist binding by divalent cations. Mol Pharmacol (1975) 1.41

Allosteric sodium in class A GPCR signaling. Trends Biochem Sci (2014) 1.41

Induced effects of sodium ions on dopaminergic G-protein coupled receptors. PLoS Comput Biol (2010) 1.25

Differential effects of protein-modifying reagents on receptor binding of opiate agonists and antagonists. Mol Pharmacol (1975) 1.24

Modeling and mutational analysis of a putative sodium-binding pocket on the dopamine D2 receptor. Mol Pharmacol (2001) 1.21

Pivotal role of an aspartate residue in sodium sensitivity and coupling to G proteins of neurotensin receptors. Mol Pharmacol (1999) 1.17

The 2.1 Å resolution structure of cyanopindolol-bound β1-adrenoceptor identifies an intramembrane Na+ ion that stabilises the ligand-free receptor. PLoS One (2014) 1.17

Site-directed mutagenesis of the human A1 adenosine receptor: influences of acidic and hydroxy residues in the first four transmembrane domains on ligand binding. Mol Pharmacol (1996) 1.08

Conformational flexibility and structural dynamics in GPCR-mediated G protein activation: a perspective. J Mol Biol (2013) 1.05

Structural domains of the CB1 cannabinoid receptor that contribute to constitutive activity and G-protein sequestration. J Neurosci (2001) 1.00

The role of water and sodium ions in the activation of the μ-opioid receptor. Angew Chem Int Ed Engl (2013) 0.97

The role of a sodium ion binding site in the allosteric modulation of the A(2A) adenosine G protein-coupled receptor. Structure (2013) 0.95

Mutational analysis of the conserved Asp2.50 and ERY motif reveals signaling bias of the urotensin II receptor. Mol Pharmacol (2008) 0.93

Sodium regulation of agonist binding at opioid receptors. II. Effects of sodium replacement on opioid binding in guinea pig cortical membranes. Mol Pharmacol (1986) 0.82

High- and low-affinity sites for sodium in δ-OR-Gi1α (Cys (351)-Ile (351)) fusion protein stably expressed in HEK293 cells; functional significance and correlation with biophysical state of plasma membrane. Naunyn Schmiedebergs Arch Pharmacol (2014) 0.79

Articles by these authors

(truncated to the top 100)

Clinical guidelines for the use of chronic opioid therapy in chronic noncancer pain. J Pain (2009) 9.36

Identification of a serotonin/glutamate receptor complex implicated in psychosis. Nature (2008) 4.09

Dopamine D2 receptors form higher order oligomers at physiological expression levels. EMBO J (2008) 2.99

International Union of Basic and Clinical Pharmacology. LXVII. Recommendations for the recognition and nomenclature of G protein-coupled receptor heteromultimers. Pharmacol Rev (2007) 2.62

Decoding the signaling of a GPCR heteromeric complex reveals a unifying mechanism of action of antipsychotic drugs. Cell (2011) 2.55

Crosstalk in G protein-coupled receptors: changes at the transmembrane homodimer interface determine activation. Proc Natl Acad Sci U S A (2005) 2.33

G protein-coupled receptor oligomerization revisited: functional and pharmacological perspectives. Pharmacol Rev (2014) 1.82

Truncated G protein-coupled mu opioid receptor MOR-1 splice variants are targets for highly potent opioid analgesics lacking side effects. Proc Natl Acad Sci U S A (2011) 1.39

Genetic dissociation of opiate tolerance and physical dependence in delta-opioid receptor-1 and preproenkephalin knock-out mice. J Neurosci (2002) 1.37

Involvement of exon 11-associated variants of the mu opioid receptor MOR-1 in heroin, but not morphine, actions. Proc Natl Acad Sci U S A (2009) 1.35

Identification of a μ-δ opioid receptor heteromer-biased agonist with antinociceptive activity. Proc Natl Acad Sci U S A (2013) 1.34

Closed headpiece of integrin αIIbβ3 and its complex with an αIIbβ3-specific antagonist that does not induce opening. Blood (2010) 1.29

Functional analysis of MOR-1 splice variants of the mouse mu opioid receptor gene Oprm. Synapse (2004) 1.27

Modern homology modeling of G-protein coupled receptors: which structural template to use? J Med Chem (2009) 1.26

Identification of four novel exon 5 splice variants of the mouse mu-opioid receptor gene: functional consequences of C-terminal splicing. Mol Pharmacol (2005) 1.20

Sigma 1 receptor modulation of G-protein-coupled receptor signaling: potentiation of opioid transduction independent from receptor binding. Mol Pharmacol (2010) 1.15

Making structural sense of dimerization interfaces of delta opioid receptor homodimers. Biochemistry (2011) 1.13

Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques. PLoS Comput Biol (2011) 1.12

Identification of three new alternatively spliced variants of the rat mu opioid receptor gene: dissociation of affinity and efficacy. J Neurochem (2004) 1.12

Identification and characterization of two new human mu opioid receptor splice variants, hMOR-1O and hMOR-1X. Biochem Biophys Res Commun (2003) 1.11

Synergy between mu opioid ligands: evidence for functional interactions among mu opioid receptor subtypes. J Pharmacol Exp Ther (2002) 1.10

Sigma1 receptor modulation of opioid analgesia in the mouse. J Pharmacol Exp Ther (2002) 1.09

GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base. Bioinformatics (2010) 1.09

Historical review: Opioid receptors. Trends Pharmacol Sci (2003) 1.07

Isolation and characterization of new exon 11-associated N-terminal splice variants of the human mu opioid receptor gene. J Neurochem (2008) 1.07

Structure-guided design of a high-affinity platelet integrin αIIbβ3 receptor antagonist that disrupts Mg²⁺ binding to the MIDAS. Sci Transl Med (2012) 1.07

Modeling activated states of GPCRs: the rhodopsin template. J Comput Aided Mol Des (2006) 1.06

In silico prediction of binding sites on proteins. Curr Med Chem (2010) 1.06

Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base. BMC Bioinformatics (2007) 1.04

Exploring molecular mechanisms of ligand recognition by opioid receptors with metadynamics. Biochemistry (2009) 1.03

Membrane driven spatial organization of GPCRs. Sci Rep (2013) 1.03

Differential response to morphine of the oligomeric state of μ-opioid in the presence of δ-opioid receptors. Biochemistry (2011) 1.03

Generation of novel radiolabeled opiates through site-selective iodination. Bioorg Med Chem Lett (2011) 1.02

Assessing the relative stability of dimer interfaces in g protein-coupled receptors. PLoS Comput Biol (2012) 1.02

Use of the UPOINT chronic prostatitis/chronic pelvic pain syndrome classification in European patient cohorts: sexual function domain improves correlations. J Urol (2010) 1.02

Dimerization of morphine and orphanin FQ/nociceptin receptors: generation of a novel opioid receptor subtype. Biochem Biophys Res Commun (2002) 1.01

Synthesis and evaluation of aryl-naloxamide opiate analgesics targeting truncated exon 11-associated μ opioid receptor (MOR-1) splice variants. J Med Chem (2012) 1.00

Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy. Proc Natl Acad Sci U S A (2013) 0.99

TRAJELIX: a computational tool for the geometric characterization of protein helices during molecular dynamics simulations. J Comput Aided Mol Des (2006) 0.99

Stabilization of the μ-opioid receptor by truncated single transmembrane splice variants through a chaperone-like action. J Biol Chem (2013) 0.99

Modulation of brainstem opiate analgesia in the rat by sigma 1 receptors: a microinjection study. J Pharmacol Exp Ther (2007) 0.96

PLI: a web-based tool for the comparison of protein-ligand interactions observed on PDB structures. Bioinformatics (2012) 0.96

Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening. J Chem Inf Model (2013) 0.96

Structural and therapeutic insights from the species specificity and in vivo antithrombotic activity of a novel alphaIIb-specific alphaIIbbeta3 antagonist. Blood (2009) 0.96

Identification and characterization of seven new exon 11-associated splice variants of the rat μ opioid receptor gene, OPRM1. Mol Pain (2011) 0.95

Lessons from free energy simulations of delta-opioid receptor homodimers involving the fourth transmembrane helix. Biochemistry (2010) 0.95

Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics. Biophys J (2010) 0.94

Effects of limiting extension at the alphaIIb genu on ligand binding to integrin alphaIIbbeta3. J Biol Chem (2010) 0.93

Molecular determinants and thermodynamics of the amyloid precursor protein transmembrane domain implicated in Alzheimer's disease. J Mol Biol (2011) 0.93

Showcasing modern molecular dynamics simulations of membrane proteins through G protein-coupled receptors. Curr Opin Struct Biol (2011) 0.93

Structural biology: How opioid drugs bind to receptors. Nature (2012) 0.92

High-affinity mu opioid receptor ligands discovered by the screening of an exhaustively stereodiversified library of 1,5-enediols. J Am Chem Soc (2002) 0.92

Improved brain uptake and pharmacological activity of dalargin using a peptide-vector-mediated strategy. J Pharmacol Exp Ther (2003) 0.90

Functional and computational studies of the ligand-associated metal binding site of beta3 integrins. Proteins (2008) 0.90

Mediation of opioid analgesia by a truncated 6-transmembrane GPCR. J Clin Invest (2015) 0.88

14-Methoxymetopon, a very potent mu-opioid receptor-selective analgesic with an unusual pharmacological profile. Eur J Pharmacol (2003) 0.88

Targeted molecular dynamics reveals overall common conformational changes upon hybrid domain swing-out in beta3 integrins. Proteins (2009) 0.88

Characterization of the binding of [3H][Dmt1]H-Dmt-D-Arg-Phe-Lys-NH2, a highly potent opioid peptide. J Pharmacol Exp Ther (2003) 0.87

Selective potentiation of opioid analgesia by nonsteroidal anti-inflammatory drugs. Brain Res (2005) 0.87

Mutations affecting the oligomerization interface of G-protein-coupled receptors revealed by a novel de novo protein design framework. Biophys J (2008) 0.86

Immunohistochemical labeling of the mu opioid receptor carboxy terminal splice variant mMOR-1B4 in the mouse central nervous system. Brain Res (2006) 0.86

The peripheral-type benzodiazepine receptor and tumorigenicity: isoquinoline binding protein (IBP) antisense knockdown in the C6 glioma cell line. Biochemistry (2005) 0.86

The synergistic analgesic interactions between hydrocodone and ibuprofen. Anesth Analg (2003) 0.85

Feeding induced by food deprivation is differentially reduced by G-protein alpha-subunit antisense probes in rats. Brain Res (2002) 0.85

Isolating and characterizing three alternatively spliced mu opioid receptor variants: mMOR-1A, mMOR-1O, and mMOR-1P. Synapse (2014) 0.85

Overexpression of Kelch domain containing-2 (mKlhdc2) inhibits differentiation and directed migration of C2C12 myoblasts. Exp Cell Res (2006) 0.84

Dynorphin A(1-17)-induced feeding: pharmacological characterization using selective opioid antagonists and antisense probes in rats. J Pharmacol Exp Ther (2002) 0.83

Pharmacological characterization of dihydromorphine, 6-acetyldihydromorphine and dihydroheroin analgesia and their differentiation from morphine. Eur J Pharmacol (2004) 0.83

Influence of oligomerization on the dynamics of G-protein coupled receptors as assessed by normal mode analysis. Proteins (2008) 0.82

Novel 6β-acylaminomorphinans with analgesic activity. Eur J Med Chem (2013) 0.82

Methadone-induced hypoglycemia. Cell Mol Neurobiol (2013) 0.81

Advances in the Development and Application of Computational Methodologies for Structural Modeling of G-Protein Coupled Receptors. Expert Opin Drug Discov (2008) 0.81

Analgesic synergy between topical morphine and butamben in mice. Anesth Analg (2003) 0.81

Morphine regulates expression of μ-opioid receptor MOR-1A, an intron-retention carboxyl terminal splice variant of the μ-opioid receptor (OPRM1) gene via miR-103/miR-107. Mol Pharmacol (2013) 0.81

The role of multidrug resistance-associated protein in the blood-brain barrier and opioid analgesia. Synapse (2013) 0.81

Anti insulin-like growth factor I receptor immunoliposomes: a single formulation combining two anticancer treatments with enhanced therapeutic efficiency. J Clin Endocrinol Metab (2009) 0.80

Inhibition of tumor cell growth by Sigma1 ligand mediated translational repression. Biochem Biophys Res Commun (2012) 0.80

Differential sensitivities of mouse strains to morphine and [Dmt1]DALDA analgesia. Brain Res (2003) 0.80

Opposing actions of neuronal nitric oxide synthase isoforms in formalin-induced pain in mice. Brain Res (2009) 0.80

Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand. J Comput Aided Mol Des (2012) 0.79

Topical methadone and meperidine analgesic synergy in the mouse. Eur J Pharmacol (2010) 0.79

Sequential cytoprotective responses to Sigma1 ligand-induced endoplasmic reticulum stress. Mol Pharmacol (2013) 0.79

Affinity labeling mu opioid receptors with novel radioligands. Cell Mol Neurobiol (2005) 0.79

Separation of binding affinity and intrinsic activity of the potent mu-opioid 14-methoxymetopon. J Pharmacol Exp Ther (2006) 0.79

The Dynamic Process of Drug-GPCR Binding at Either Orthosteric or Allosteric Sites Evaluated by Metadynamics. Methods Mol Biol (2015) 0.78

Bioactive conformations of two seminal delta opioid receptor penta-peptides inferred from free-energy profiles. Biopolymers (2014) 0.78

Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3β inhibitors. Angew Chem Int Ed Engl (2014) 0.78

Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor. J Chem Inf Model (2015) 0.78

Systemically and topically active antinociceptive neurotensin compounds. J Pharmacol Exp Ther (2010) 0.78

Sandmeyer reaction repurposed for the site-selective, non-oxidizing radioiodination of fully-deprotected peptides: studies on the endogenous opioid peptide α-neoendorphin. Bioorg Med Chem Lett (2013) 0.77

Characterization of rat prepro-orphanin FQ/nociceptin((154-181)): nociceptive processing in supraspinal sites. J Pharmacol Exp Ther (2002) 0.77

Three-component coupling approach for the synthesis of diverse heterocycles utilizing reactive nitrilium trapping. Org Lett (2014) 0.77

Alternatively spliced mu opioid receptor C termini impact the diverse actions of morphine. J Clin Invest (2017) 0.77

SERAPhiC: a benchmark for in silico fragment-based drug design. J Chem Inf Model (2011) 0.77

Feeling pain? Who's your daddy.... Nat Med (2006) 0.76

Changes in mouse mu opioid receptor Exon 7/8-like immunoreactivity following food restriction and food deprivation in rats. Synapse (2009) 0.76

Beyond standard molecular dynamics: investigating the molecular mechanisms of G protein-coupled receptors with enhanced molecular dynamics methods. Adv Exp Med Biol (2014) 0.75

Codeine and 6-acetylcodeine analgesia in mice. Cell Mol Neurobiol (2006) 0.75

2,6-Dimethyltyrosine analogues of a stereodiversified ligand library: highly potent, selective, non-peptidic mu opioid receptor agonists. J Med Chem (2003) 0.75

Proposed Mode of Binding and Action of Positive Allosteric Modulators at Opioid Receptors. ACS Chem Biol (2016) 0.75