Structure-Based Prediction of Subtype Selectivity of Histamine H3 Receptor Selective Antagonists in Clinical Trials

No abstract is available for this paper.

• Publication year

  2011

• Venue

  Journal of Chemical Information and Modeling

• Publication date

  2011-11-16

• Fields of study

  Biology, Medicine, Chemistry, Computer Science

• Identifiers
  DOI 10.1021/ci200435bPMID 22035233PMCID PMC3246544
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Efficiency of Potent Gastric Acid Inhibition

  2012influential reference
• Bihelix: Towards de novo structure prediction of an ensemble of G‐protein coupled receptor conformations

  2012cited by this paper
• Histamine H3 receptor as a drug discovery target.

  2011cited by this paper
• Structure of the human histamine H1 receptor complex with doxepin

  2011cited by this paper
• Discovery of Histamine H3 Antagonists for the Treatment of Cognitive Disorders and Alzheimer's Disease

  2011cited by this paper
• Structural Requirements for Inverse Agonism and Neutral Antagonism of Indole-, Benzimidazole-, and Thienopyrrole-Derived Histamine H4 Receptor Ligands

  2010cited by this paper
• Predicted 3D structures for adenosine receptors bound to ligands: comparison to the crystal structure.

  2010cited by this paper
• The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist

  2008cited by this paper
• Delineation of Agonist Binding to the Human Histamine H4 Receptor Using Mutational Analysis, Homology Modeling, and ab Initio Calculations

  2008cited by this paper
• Structure of a β1-adrenergic G-protein-coupled receptor

  2008cited by this paper
• The structure of human serotonin 2c G-protein-coupled receptor bound to agonists and antagonists.

  2008cited by this paper
• Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening.

  2008cited by this paper
• Flat-Bottom Strategy for Improved Accuracy in Protein Side-Chain Placements.

  2008cited by this paper
• BF2.649 [1-{3-[3-(4-Chlorophenyl)propoxy]propyl}piperidine, Hydrochloride], a Nonimidazole Inverse Agonist/Antagonist at the Human Histamine H3 Receptor: Preclinical Pharmacology

  2007cited by this paper
• Prediction of the 3-D structure of rat MrgA G protein-coupled receptor and identification of its binding site.

  2007cited by this paper
• [Treatment of gastroesophageal reflux disease].

  2007cited by this paper
• Molecular code for transmembrane-helix recognition by the Sec61 translocon

  2007cited by this paper
• High-Resolution Crystal Structure of an Engineered Human β2-Adrenergic G Protein–Coupled Receptor

  2007cited by this paper
• High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor.

  2007cited by this paper
• Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist.

  2007cited by this paper
• GSK189254, a Novel H3 Receptor Antagonist That Binds to Histamine H3 Receptors in Alzheimer's Disease Brain and Improves Cognitive Performance in Preclinical Models

  2007cited by this paper
• Prediction of the 3D Structure of FMRF‐amide Neuropeptides Bound to the Mouse MrgC11 GPCR and Experimental Validation

  2007cited by this paper
• Development and Chemistry of Histamine H4 Receptor Ligands as Potential Modulators of Inflammatory and Allergic Responses

  2006cited by this paper
• Predictions of CCR1 Chemokine Receptor Structure and BX 471 Antagonist Binding Followed by Experimental Validation*

  2006cited by this paper
• Dynamic behavior of fully solvated beta2-adrenergic receptor, embedded in the membrane with bound agonist or antagonist.

  2006cited by this paper
• The Predicted 3D Structures of the Human M1 Muscarinic Acetylcholine Receptor with Agonist or Antagonist Bound

  2006cited by this paper
• Recent medicinal chemistry of the histamine H3 receptor.

  2006cited by this paper
• Pharmacological Properties of ABT-239 [4-(2-{2-[(2R)-2-Methylpyrrolidinyl]ethyl}-benzofuran-5-yl)benzonitrile]: I. Potent and Selective Histamine H3 Receptor Antagonist with Drug-Like Properties

  2005cited by this paper
• MAFFT version 5: improvement in accuracy of multiple sequence alignment

  2005cited by this paper
• Evaluation of Histamine H 1-, H 2-, and H 3-Receptor Ligands at the Human Histamine H 4 Receptor : Identification of 4-Methylhistamine as the First Potent and Selective H 4 Receptor Agonist

  2005cited by this paper
• The MPSim‐Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals

  2005cited by this paper
• Treatment of Gastroesophageal Reflux Disease*

  2005cited by this paper
• Evaluation of Histamine H1-, H2-, and H3-Receptor Ligands at the Human Histamine H4 Receptor: Identification of 4-Methylhistamine as the First Potent and Selective H4 Receptor Agonist

  2005cited by this paper
• Validation of a histamine H3 receptor model through structure-activity relationships for classical H3 antagonists.

  2005cited by this paper
• Journal of Chemical Information and Modeling

  2005cited by this paper
• IL-13受体α2降低血吸虫病肉芽肿的炎症反应并延长宿主存活时间[英]/Mentink-Kane MM,Cheever AW，Thompson RW，et al//Proc Natl Acad Sci U S A

  2005cited by this paper
• Efficiency of potent gastric acid inhibition.

  2005cited by this paper
• The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists.

  2004cited by this paper
• Medicinal chemical and pharmacological aspects of imidazole-containing histamine H3 receptor antagonists.

  2004cited by this paper
• Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists.

  2004cited by this paper
• Two Novel and Selective Nonimidazole Histamine H3 Receptor Antagonists A-304121 and A-317920: I. In Vitro Pharmacological Effects

  2003cited by this paper
• Prediction of structure and function of G protein-coupled receptors

  2002cited by this paper
• The role of transmembrane helix 5 in agonist binding to the human H3 receptor.

  2002cited by this paper
• Molecular modeling and site-specific mutagenesis of the histamine-binding site of the histamine H4 receptor.

  2002cited by this paper
• Genomics meets histamine receptors: new subtypes, new receptors.

  2001cited by this paper
• Distinct pharmacology of rat and human histamine H3 receptors: role of two amino acids in the third transmembrane domain

  2000cited by this paper
• Solvation energies of amino acid side chains and backbone in a family of host-guest pentapeptides.

  1996cited by this paper
• Expression of histidine decarboxylase and cellular histamine-like immunoreactivity in rat embryogenesis.

  1995cited by this paper
• DREIDING: A generic force field for molecular simulations

  1990cited by this paper

• Steviol rebaudiosides bind to four different sites of the human sweet taste receptor (T1R2/T1R3) complex explaining confusing experiments

  2024cites this paper
• CCR6 as a Potential Target for Therapeutic Antibodies for the Treatment of Inflammatory Diseases

  2023cites this paper
• Dual Piperidine-Based Histamine H3 and Sigma-1 Receptor Ligands in the Treatment of Nociceptive and Neuropathic Pain

  2023cites this paper
• Predicted Three-Dimensional Structure of the GCR1 Putative GPCR in Arabidopsis thaliana and Its Binding to Abscisic Acid and Gibberellin A1.

  2023cites this paper
• Molecular Modeling of Histamine Receptors—Recent Advances in Drug Discovery

  2021cites this paper
• Structural Variation and Odorant Binding for Olfactory Receptors Selected from the Six Major Subclasses of the OR Phylogenetic Tree

  2021cites this paper
• Mechanism of Action of Atypical Antipsychotic Drugs in Mood Disorders

  2020cites this paper
• Synthesis and antiseizure effect evaluation of nonimidazole histamine H3 receptor antagonists containing the oxazole moiety

  2020cites this paper
• Novel potent (dihydro)benzofuranyl piperazines as human histamine receptor ligands - Functional characterization and modeling studies on H3 and H4 receptors.

  2020cites this paper
• Design, synthesis, and anticonvulsant effects evaluation of nonimidazole histamine H3 receptor antagonists/inverse agonists containing triazole moiety

  2020cites this paper
• Pitolisant and Other Histamine-3 Receptor Antagonists—An Update on Therapeutic Potentials and Clinical Prospects

  2020cites this paper
• Molecular dynamics of the histamine H3 membrane receptor reveals different mechanisms of GPCR signal transduction

  2020cites this paper
• How to design potent and selective DYRK1B inhibitors? Molecular modeling study

  2019cites this paper
• Histamine H3 receptor ligands by hybrid virtual screening, docking, molecular dynamics simulations, and investigation of their biological effects

  2019cites this paper
• Multidimensional analysis of extended molecular dynamics simulations reveals the complexity of signal transduction by the histamine H3 membrane receptor

  2019cites this paper
• Development of New Methods Needs Proper Evaluation - Benchmarking Sets for Machine Learning Experiments for Class A GPCRs

  2019cites this paper
• QSAR Modeling of Histamine H3R Antagonists/inverse Agonists as Future Drugs for Neurodegenerative Diseases

  2018cites this paper
• Differential homologous desensitization of the human histamine H3 receptors of 445 and 365 amino acids expressed in CHO‐K1 cells

  2018cites this paper
• Synthesis and Characterization of a Bidirectional Photoswitchable Antagonist Toolbox for Real-Time GPCR Photopharmacology

  2018cites this paper
• Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification

  2017cites this paper
• The 3D Structure of Human DP Prostaglandin G-Protein-Coupled Receptor Bound to Cyclopentanoindole Antagonist, Predicted Using the DuplexBiHelix Modification of the GEnSeMBLE Method.

  2017cites this paper
• DarwinDock and GAG-Dock: Methods and Applications for Small Molecule Docking

  2017cites this paper
• PREDICTING GLYCOSAMINOGLYCAN-SURFACE PROTEIN INTERACTIONS: IMPLICATIONS FOR STUDYING AXONAL GROWTH

  2017cites this paper
• The Histamine H3 Receptor: Structure, Pharmacology, and Function

  2016cites this paper
• Structure-based discovery and binding site analysis of histamine receptor ligands

  2016influential citation
• Isoformas del receptor a histamina H3 humano: generación, expresión en el sistema nervioso central (SNC) e implicaciones funcionales

  2016cites this paper
• Molecular-Docking-Based Drug Design and Discovery: Rational Drug Design for the Subtype Selective GPCR Ligands

  2016cites this paper
• Molecular Aspects of Histamine Receptors

  2016cites this paper
• [Isoforms of the human histamine H3 receptor: Generation, expression in the central nervous system and functional implications].

  2016cites this paper
• Novel 1-Phenyl-3-hydroxy-4-pyridinone Derivatives as Multifunctional Agents for the Therapy of Alzheimer's Disease.

  2016cites this paper
• Dual Histamine H3R/Serotonin 5-HT4R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology

  2014cites this paper
• Histamine in Migraine and Brain

  2014cites this paper
• Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1

  2014cites this paper
• Determination of the binding mode and interacting amino-acids for dibasic H3 receptor antagonists.

  2013cites this paper
• Design and synthesis of novel 3-substituted-indole derivatives as selective H3 receptor antagonists and potent free radical scavengers.

  2013cites this paper
• Latest developments in molecular docking: 2010–2011 in review

  2013cites this paper
• A single‐point mutation (Ala280Val) in the third intracellular loop alters the signalling properties of the human histamine H3 receptor stably expressed in CHO‐K1 cells

  2013cites this paper
• SuperBiHelix method for predicting the pleiotropic ensemble of G-protein–coupled receptor conformations

  2013cites this paper
• Cognitive Enhancers (Nootropics). Part 1: Drugs Interacting with Receptors

  2012cites this paper
• Cunninghamella as a Microbiological Model for Metabolism of Histamine H3 Receptor Antagonist 1-[3-(4-tert-Butylphenoxy)propyl]piperidine

  2012cites this paper
• Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints

  2012cites this paper