Structure-based discovery of opioid analgesics with reduced side effects
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Henry Lin | Grégory Scherrer | Aashish Manglik | Dipendra K. Aryal | John D. McCorvy | Daniela Dengler | Gregory Corder | Anat Levit | Ralf C. Kling | Viachaslau Bernat | Harald Hübner | Xi-Ping Huang | Maria F. Sassano | Patrick M. Giguère | Stefan Löber | Da Duan | Brian K. Kobilka | Peter Gmeiner | Bryan L. Roth | Brian K. Shoichet | B. Shoichet | Henry Lin | Xi-Ping Huang | B. Roth | B. Kobilka | A. Levit | A. Manglik | P. Giguère | R. Kling | P. Gmeiner | J. McCorvy | D. Duan | H. Hübner | G. Corder | G. Scherrer | Viachaslau Bernat | S. Löber | M. Sassano | Dipendra K. Aryal | D. Dengler
[1] Aashish Manglik,et al. Structure of the δ-opioid receptor bound to naltrindole , 2012, Nature.
[2] Bryan L. Roth,et al. Structure of the human kappa opioid receptor in complex with JDTic , 2012, Nature.
[3] P. Kollman,et al. A well-behaved electrostatic potential-based method using charge restraints for deriving atomic char , 1993 .
[4] Marc G. Caron,et al. μ-Opioid receptor desensitization by β-arrestin-2 determines morphine tolerance but not dependence , 2000, Nature.
[5] Gerald Thiel,et al. Designer Receptors Exclusively Activated by Designer Drugs , 2015, Neuromethods.
[6] W. Estes. Discriminative conditioning; effects of a Pavlovian conditioned stimulus upon a subsequently established operant response. , 1948, Journal of experimental psychology.
[7] Marc G Caron,et al. Enhanced Rewarding Properties of Morphine, but not Cocaine, in βarrestin-2 Knock-Out Mice , 2003, The Journal of Neuroscience.
[8] D Le Bars,et al. Animal models of nociception. , 2001, Pharmacological reviews.
[9] R. Stevens,et al. Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor. , 2011, Journal of medicinal chemistry.
[10] Loren J. Martin,et al. Olfactory exposure to males, including men, causes stress and related analgesia in rodents , 2014, Nature Methods.
[11] Jun Ren,et al. G-protein–gated Inwardly Rectifying Potassium Channels Modulate Respiratory Depression by Opioids , 2016, Anesthesiology.
[12] H. Morris,et al. Identification of two related pentapeptides from the brain with potent opiate agonist activity , 1975, Nature.
[13] Brian K. Shoichet,et al. Rapid Context-Dependent Ligand Desolvation in Molecular Docking , 2010, J. Chem. Inf. Model..
[14] L. Bohn,et al. Morphine Side Effects in β-Arrestin 2 Knockout Mice , 2005, Journal of Pharmacology and Experimental Therapeutics.
[15] Jonathan A Sugam,et al. Mu Opioid Receptor Modulation of Dopamine Neurons in the Periaqueductal Gray/Dorsal Raphe: A Role in Regulation of Pain , 2016, Neuropsychopharmacology.
[16] R. A. Moyer,et al. An Opioid Agonist that Does Not Induce μ-Opioid Receptor—Arrestin Interactions or Receptor Internalization , 2007, Molecular Pharmacology.
[17] Kjell Hole,et al. The formalin test in mice: dissociation between inflammatory and non-inflammatory pain , 1987, Pain.
[18] Maria F. Sassano,et al. Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor , 2013, ACS chemical biology.
[19] A. Basbaum,et al. The antinociceptive action of supraspinal opioids results from an increase in descending inhibitory control: Correlation of nociceptive behavior and c-fos expression , 1991, Neuroscience.
[20] Bryan L. Roth,et al. Structure of the Nociceptin/Orphanin FQ Receptor in Complex with a Peptide Mimetic , 2012, Nature.
[21] Bryan L Roth,et al. Identification of human Ether-à-go-go related gene modulators by three screening platforms in an academic drug-discovery setting. , 2010, Assay and drug development technologies.
[22] R. Bolles. Species-specific defense reactions and avoidance learning. , 1970 .
[23] G. Pasternak,et al. Mu Opioids and Their Receptors: Evolution of a Concept , 2013, Pharmacological Reviews.
[24] Peter Kolb,et al. Structure-based discovery of β2-adrenergic receptor ligands , 2009, Proceedings of the National Academy of Sciences.
[25] Guodong Liu,et al. A G Protein-Biased Ligand at the μ-Opioid Receptor Is Potently Analgesic with Reduced Gastrointestinal and Respiratory Dysfunction Compared with Morphine , 2013, The Journal of Pharmacology and Experimental Therapeutics.
[26] B. Skinner,et al. Some quantitative properties of anxiety , 1941 .
[27] R. Gainetdinov,et al. Enhanced morphine analgesia in mice lacking beta-arrestin 2. , 1999, Science.
[28] Vsevolod V. Gurevich,et al. Design and Analysis of an Arrestin-Biased DREADD , 2015 .
[29] Graeme Milligan,et al. G Protein Coupling and Ligand Selectivity of the D2L and D3 Dopamine Receptors , 2008, Journal of Pharmacology and Experimental Therapeutics.
[30] L. Dykstra,et al. Thermal sensitivity as a measure of spontaneous morphine withdrawal in mice. , 2013, Journal of pharmacological and toxicological methods.
[31] S. Humphreys,et al. Co-Expression of GRK2 Reveals a Novel Conformational State of the µ-Opioid Receptor , 2013, PloS one.
[32] Clifford J. Woolf,et al. Long term alterations in the excitability of the flexion reflex produced by peripheral tissue injury in the chronic decerebrate rat , 1984, Pain.
[33] Nathan Robertson,et al. Article pubs.acs.org/jmc Identification of Novel Adenosine A 2A Receptor Antagonists by Virtual Screening , 2022 .
[34] Avner Schlessinger,et al. Ligand Discovery from a Dopamine D3 Receptor Homology Model and Crystal Structure , 2011, Nature chemical biology.
[35] Ralf C. Kling,et al. Functionally selective dopamine D₂, D₃ receptor partial agonists. , 2014, Journal of medicinal chemistry.
[36] Ruben Abagyan,et al. Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. , 2010, Journal of medicinal chemistry.
[37] Petros Koutrakis,et al. Chronic Social Stress and Susceptibility to Concentrated Ambient Fine Particles in Rats , 2010, Environmental health perspectives.
[38] R. Bolles,et al. Clinical implications of Bolles & Fanselow's pain/fear model , 1980, Behavioral and Brain Sciences.
[39] L. Pardo,et al. Crystal structure of the μ-opioid receptor bound to a morphinan antagonist , 2012, Nature.
[40] Ralf C. Kling,et al. Functionally selective dopamine D2/D3 receptor agonists comprising an enyne moiety. , 2013, Journal of medicinal chemistry.
[41] Jonathan A. Javitch,et al. Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening , 2013, J. Chem. Inf. Model..
[42] V. Hornak,et al. Comparison of multiple Amber force fields and development of improved protein backbone parameters , 2006, Proteins.
[43] Sung Han,et al. Elucidating an Affective Pain Circuit that Creates a Threat Memory , 2015, Cell.
[44] Michael M. Mysinger,et al. Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4 , 2012, Proceedings of the National Academy of Sciences.
[45] D C Blanchard,et al. Passive and active reactions to fear-eliciting stimuli. , 1969, Journal of comparative and physiological psychology.
[46] P T Brown,et al. Acute tolerance in morphine analgesia: continuous infusion and single injection in rats. , 1991, Anesthesiology.
[47] Ryan G. Coleman,et al. ZINC: A Free Tool to Discover Chemistry for Biology , 2012, J. Chem. Inf. Model..
[48] J. Thompson,et al. The effects of morphine- and nalorphine- like drugs in the nondependent and morphine-dependent chronic spinal dog. , 1976, The Journal of pharmacology and experimental therapeutics.
[49] Brian K. Shoichet,et al. Structure-Based Discovery of A2A Adenosine Receptor Ligands , 2010, Journal of medicinal chemistry.
[50] Elliott M. Ross,et al. Use of a cAMP BRET Sensor to Characterize a Novel Regulation of cAMP by the Sphingosine 1-Phosphate/G13 Pathway* , 2007, Journal of Biological Chemistry.
[51] Junmei Wang,et al. Development and testing of a general amber force field , 2004, J. Comput. Chem..
[52] Maria F. Sassano,et al. PRESTO-TANGO: an open-source resource for interrogation of the druggable human GPCR-ome , 2015, Nature Structural &Molecular Biology.
[53] P. Gmeiner,et al. Conjugated enynes as nonaromatic catechol bioisosteres: synthesis, binding experiments, and computational studies of novel dopamine receptor agonists recognizing preferentially the D(3) subtype. , 2000, Journal of medicinal chemistry.
[54] Xin Chen,et al. Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65 , 2015, Nature.
[55] John Hughes,et al. Endogenous opioid peptides: multiple agonists and receptors , 1977, Nature.
[56] Stephen M. Husbands,et al. Structural insights into μ-opioid receptor activation , 2015, Nature.
[57] Sudarshan Rajagopal,et al. Quantifying Ligand Bias at Seven-Transmembrane Receptors , 2011, Molecular Pharmacology.
[58] R. Rescorla,et al. INHIBITION OF AVOIDANCE BEHAVIOR. , 1965, Journal of comparative and physiological psychology.
[59] Sudarshan Rajagopal,et al. Quantifying biased agonism: understanding the links between affinity and efficacy , 2013, Nature Reviews Drug Discovery.
[60] Maria F. Sassano,et al. Automated design of ligands to polypharmacological profiles , 2012, Nature.
[61] T. Straatsma,et al. THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS , 1987 .
[62] Michael M. Mysinger,et al. Automated Docking Screens: A Feasibility Study , 2009, Journal of medicinal chemistry.
[63] P R Sanberg,et al. The catalepsy test: its ups and downs. , 1988, Behavioral neuroscience.
[64] Peter Gmeiner,et al. Molecular dynamics simulations of the effect of the G-protein and diffusible ligands on the β2-adrenergic receptor. , 2011, Journal of molecular biology.
[65] B. Skinner,et al. The Behavior of Organisms: An Experimental Analysis , 2016 .
[66] Yvonne C. Martin,et al. Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping , 2008, J. Chem. Inf. Model..
[67] C. Zhang,et al. Covalent agonists for studying G protein-coupled receptor activation , 2014, Proceedings of the National Academy of Sciences.
[68] J. Ballesteros,et al. [19] Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein-coupled receptors , 1995 .
[69] John P. Overington,et al. ChEMBL: a large-scale bioactivity database for drug discovery , 2011, Nucleic Acids Res..
[70] Lynn R. Webster,et al. Biased agonism of the μ-opioid receptor by TRV130 increases analgesia and reduces on-target adverse effects versus morphine: A randomized, double-blind, placebo-controlled, crossover study in healthy volunteers , 2014, PAIN®.
[71] Arthur Christopoulos,et al. Signalling bias in new drug discovery: detection, quantification and therapeutic impact , 2012, Nature Reviews Drug Discovery.
[72] Anton Barty,et al. Structural basis for bifunctional peptide recognition at human δ-Opioid receptor , 2015, Nature Structural &Molecular Biology.
[73] Brian K. Shoichet,et al. Structure-Based Discovery of a Novel, Noncovalent Inhibitor of AmpC β-Lactamase , 2002 .
[74] Rainer Spanagel,et al. Opposing tonically active endogenous opioid systems modulate the mesolimbic dopaminergic pathway , 1992 .
[75] T. Tzschentke,et al. Measuring reward with the conditioned place preference paradigm: a comprehensive review of drug effects, recent progress and new issues , 1998, Progress in Neurobiology.