The use of G-protein coupled receptor models in lead optimization (Q33893103)

29 July 2017

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title

The use of G-protein coupled receptor models in lead optimization (English)

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G protein-coupled receptor

29 July 2017

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author name string

Christofer S Tautermann

series ordinal

1

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PubMed ID

21554077

29 July 2017

language of work or name

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1 April 2011

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Future Medicinal Chemistry

29 July 2017

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29 July 2017

3

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6

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29 July 2017

709-721

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Structural diversity of G protein-coupled receptors and significance for drug discovery

29 July 2017

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The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprints

21 January 2018

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21 January 2018

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Orphan G protein-coupled receptors: targets for new therapeutic interventions

21 January 2018

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The 7 TM G-protein-coupled receptor target family

21 January 2018

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G-protein-coupled receptors: an update

21 January 2018

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Latest development in drug discovery on G protein-coupled receptors

21 January 2018

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Regulation of GPCR signaling in hypertension

21 January 2018

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G-protein coupled receptors in stem cell self-renewal and differentiation.

21 January 2018

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Cannabinoid CB1 receptor-interacting proteins: novel targets for central nervous system drug discovery?

21 January 2018

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Targeting platelet G-protein coupled receptors (GPCRs): looking beyond conventional GPCR antagonism.

21 January 2018

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Introduction to adenosine receptors as therapeutic targets

21 January 2018

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Future g protein-coupled receptor targets for treatment of heart failure.

21 January 2018

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G protein signaling controls the differentiation of multiple cell lineages.

21 January 2018

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Targeting human mast cells expressing g-protein-coupled receptors in allergic diseases

21 January 2018

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Chemotaxis, chemokine receptors and human disease.

21 January 2018

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G protein-coupled receptor connectivity to NF-kappaB in inflammation and cancer

21 January 2018

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Chemokines as pharmacological targets

21 January 2018

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G-protein-coupled receptors and melanoma

21 January 2018

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Chemokine: receptor structure, interactions, and antagonism

21 January 2018

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G-protein-coupled receptors: past, present and future.

21 January 2018

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High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

21 January 2018

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Crystal structure of the human beta2 adrenergic G-protein-coupled receptor

21 January 2018

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Structure of a nanobody-stabilized active state of the β(2) adrenoceptor

21 January 2018

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Structure of a beta1-adrenergic G-protein-coupled receptor

21 January 2018

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The structural basis for agonist and partial agonist action on a β(1)-adrenergic receptor

21 January 2018

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The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist

21 January 2018

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Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

21 January 2018

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

21 January 2018

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Crystal structure of rhodopsin: A G protein-coupled receptor

21 January 2018

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Crystal structure of squid rhodopsin

21 January 2018

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Rhodopsin and the others: a historical perspective on structural studies of G protein-coupled receptors

21 January 2018

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Rhodopsin crystal: new template yielding realistic models of G-protein-coupled receptors?

21 January 2018

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Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?

21 January 2018

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Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach

21 January 2018

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Modern homology modeling of G-protein coupled receptors: which structural template to use?

21 January 2018

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PREDICT modeling and in-silico screening for G-protein coupled receptors.

21 January 2018

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Prediction of structure and function of G protein-coupled receptors

21 January 2018

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BUNDLE: a program for building the transmembrane domains of G-protein-coupled receptors

21 January 2018

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New vistas in GPCR 3D structure prediction.

21 January 2018

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Dynamics and flexibility of G-protein-coupled receptor conformations and their relevance to drug design

21 January 2018

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Multiple signaling states of G-protein-coupled receptors

21 January 2018

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Computational mapping of the conformational transitions in agonist selective pathways of a G-protein coupled receptor.

21 January 2018

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Hit and lead generation: beyond high-throughput screening

21 January 2018

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Roof and floor of the muscarinic binding pocket: variations in the binding modes of orthosteric ligands.

21 January 2018

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Use of an in situ disulfide cross-linking strategy to map proximities between amino acid residues in transmembrane domains I and VII of the M3 muscarinic acetylcholine receptor

21 January 2018

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Roles of threonine 192 and asparagine 382 in agonist and antagonist interactions with M1 muscarinic receptors

21 January 2018

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Mutagenic mapping suggests a novel binding mode for selective agonists of M1 muscarinic acetylcholine receptors

21 January 2018

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Rapid identification of functionally critical amino acids in a G protein-coupled receptor.

21 January 2018

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Transmembrane domains 4 and 7 of the M(1) muscarinic acetylcholine receptor are critical for ligand binding and the receptor activation switch

21 January 2018

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Random mutagenesis of the M3 muscarinic acetylcholine receptor expressed in yeast. Identification of point mutations that "silence" a constitutively active mutant M3 receptor and greatly impair receptor/G protein coupling

21 January 2018

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Conformational changes that occur during M3 muscarinic acetylcholine receptor activation probed by the use of an in situ disulfide cross-linking strategy

21 January 2018

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Drug design strategies for targeting G-protein-coupled receptors

21 January 2018

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Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening

21 January 2018

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Performance of 3D-database molecular docking studies into homology models

21 January 2018

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Homology modeling and docking evaluation of aminergic G protein-coupled receptors

21 January 2018

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G protein-coupled receptors: in silico drug discovery in 3D.

21 January 2018

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An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression

21 January 2018

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GPCR structure-based virtual screening approach for CB2 antagonist search

21 January 2018

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Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols

21 January 2018

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Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening

21 January 2018

1 reference

Homology modeling of the serotonin 5-HT1A receptor using automated docking of bioactive compounds with defined geometry

21 January 2018

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Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening

21 January 2018

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Homology modeling in drug discovery: current trends and applications

21 January 2018

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Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands

21 January 2018

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Refined docking as a valuable tool for lead optimization: application to histamine H3 receptor antagonists.

21 January 2018

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Crystal structure of the ligand-free G-protein-coupled receptor opsin

21 January 2018

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Agonist-induced conformational changes in bovine rhodopsin: insight into activation of G-protein-coupled receptors

21 January 2018

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Molecular mechanism of 7TM receptor activation--a global toggle switch model

21 January 2018

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G protein coupled receptors -in silico drug discovery and design

21 January 2018

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CCR2: characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approach

21 January 2018

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Chapter 12. The use of receptor homology modeling to facilitate the design of selective chemokine receptor antagonists

21 January 2018

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Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5.

21 January 2018

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Rational design of CCR2 antagonists: a survey of computational studies

21 January 2018

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Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation

21 January 2018

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Small molecule receptor agonists and antagonists of CCR3 provide insight into mechanisms of chemokine receptor activation.

21 January 2018

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Molecular modeling aided design of nicotinic acid receptor GPR109A agonists

21 January 2018

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Comparative protein structure modeling of genes and genomes

21 January 2018

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Phenylpiperidine-benzoxazinones as urotensin-II receptor antagonists: synthesis, SAR, and in vivo assessment

21 January 2018

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Structure-function analysis of urotensin II and its use in the construction of a ligand-receptor working model

21 January 2018

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14-O-Heterocyclic-substituted naltrexone derivatives as non-peptide mu opioid receptor selective antagonists: design, synthesis, and biological studies

21 January 2018

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Homology modeling of the transmembrane domain of the human calcium sensing receptor and localization of an allosteric binding site

21 January 2018

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Chemical modification of the naphthoyl 3-position of JWH-015: in search of a fluorescent probe to the cannabinoid CB2 receptor.

21 January 2018

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Revisiting automated G-protein coupled receptor modeling: the benefit of additional template structures for a neurokinin-1 receptor model

21 January 2018

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Using multiple templates to improve quality of homology models in automated homology modeling.

21 January 2018

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An overview of recent developments in GPCR modelling: methods and validation

21 January 2018

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Advances in the Development and Application of Computational Methodologies for Structural Modeling of G-Protein Coupled Receptors.

21 January 2018

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Comparative protein modelling by satisfaction of spatial restraints

21 January 2018

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Protein structure prediction and structural genomics

21 January 2018

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First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin.

21 January 2018

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Molecular dynamics simulation of the human adenosine A3 receptor: agonist induced conformational changes of Trp243.

21 January 2018

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Atomistic insights into rhodopsin activation from a dynamic model

21 January 2018

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Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site

21 January 2018

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Milestones in the Activation of a G Protein-Coupled Receptor. Insights from Molecular-Dynamics Simulations into the Human Cholecystokinin Receptor-1.

21 January 2018

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G protein inactive and active forms investigated by simulation methods

21 January 2018

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Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics.

21 January 2018

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Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model

21 January 2018

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Focused library design in GPCR projects on the example of 5-HT(2c) agonists: comparison of structure-based virtual screening with ligand-based search methods

21 January 2018

1 reference

G Protein-Coupled Receptors

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.4155/FMC.11.24

1 reference

29 July 2017

1 reference

PubMed ID

21554077