Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening (Q58860144)

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2 January 2020

title

Generation of a homology model of the human histamine H(3) receptor for ligand docking and pharmacophore-based screening (English)

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3

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Thierry Langer

4

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2 January 2020

Wolfgang Sippl

9

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author name string

Birgit Schlegel

1

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2 January 2020

Christian Laggner

2

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2 January 2020

David Schnell

5

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2 January 2020

Roland Seifert

6

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2 January 2020

Holger Stark

7

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2 January 2020

Hans-Dieter Höltje

8

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publication date

1 August 2007

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Journal of Computer - Aided Molecular Design

2 January 2020

published in

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volume

21

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issue

8

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page(s)

437-453

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https://scigraph.springernature.com/pub.10.1007/s10822-007-9127-x

2 January 2020

exact match

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cites work

Medicinal chemistry and biological properties of non-imidazole histamine H3 antagonists

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Medicinal chemical and pharmacological aspects of imidazole-containing histamine H3 receptor antagonists

21 January 2018

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Histamine H3 receptor agonists

21 January 2018

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Azomethine prodrugs of (R)-alpha-methylhistamine, a highly potent and selective histamine H3-receptor agonist

21 January 2018

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Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4

21 January 2018

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12 December 2020

Molecular modeling and pharmacological analysis of species-related histamine H(3) receptor heterogeneity

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12 December 2020

Molecular modeling and site-specific mutagenesis of the histamine-binding site of the histamine H4 receptor.

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12 December 2020

Pharmacological characterization of the novel histamine H3-receptor antagonist N-(3,5-dichlorophenyl)-N'-[[4-(1H-imidazol-4-ylmethyl)phenyl]-methyl]-urea (SCH 79687).

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12 December 2020

Aminoalkoxybiphenylnitriles as histamine-3 receptor ligands

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

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Distinct pharmacology of rat and human histamine H(3) receptors: role of two amino acids in the third transmembrane domain

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12 December 2020

Completion and refinement of 3-D homology models with restricted molecular dynamics: application to targets 47, 58, and 111 in the CASP modeling competition and posterior analysis

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12 December 2020

Influence of imidazole replacement in different structural classes of histamine H(3)-receptor antagonists

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GROMACS: fast, flexible, and free

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12 December 2020

Three-dimensional models of histamine H3 receptor antagonist complexes and their pharmacophore

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A proposed structure for transmembrane segment 7 of G protein-coupled receptors incorporating an asn-Pro/Asp-Pro motif

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12 December 2020

Different antagonist binding properties of human and rat histamine H3 receptors

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

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The histamine H3 receptor: from gene cloning to H3 receptor drugs

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Development and validation of a genetic algorithm for flexible docking

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12 December 2020

Functional role of internal water molecules in rhodopsin revealed by X-ray crystallography.

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12 December 2020

Hydroxychloroquine is much less active than chloroquine against chloroquine-resistant Plasmodium falciparum, in agreement with its physicochemical properties

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12 December 2020

The role of transmembrane helix 5 in agonist binding to the human H3 receptor

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12 December 2020

A graph-theory algorithm for rapid protein side-chain prediction

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12 December 2020

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

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12 December 2020

Crystal structure of rhodopsin: A G protein-coupled receptor

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12 December 2020

Virtual screening using protein-ligand docking: avoiding artificial enrichment.

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12 December 2020

Validation of a histamine H3 receptor model through structure-activity relationships for classical H3 antagonists

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12 December 2020

Scoring functions--the first 100 years.

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12 December 2020

Novel carbamates as potent histamine H3 receptor antagonists with high in vitro and oral in vivo activity

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12 December 2020

Development of a pharmacophore model for histamine H3 receptor antagonists, using the newly developed molecular modeling program SLATE.

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12 December 2020

Novel histamine H(3)-receptor antagonists and partial agonists with a non-aminergic structure

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12 December 2020

From virtual to real screening for D3 dopamine receptor ligands

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12 December 2020

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

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Genetic and pharmacological aspects of histamine H3 receptor heterogeneity

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12 December 2020

Site-directed mutagenesis of the putative human muscarinic M2 receptor binding site

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12 December 2020

A qualitative model for the histamine H3 receptor explaining agonistic and antagonistic activity simultaneously

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12 December 2020

Protonation states of membrane-embedded carboxylic acid groups in rhodopsin and metarhodopsin II: a Fourier-transform infrared spectroscopy study of site-directed mutants.

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12 December 2020

Constitutive activity of histamine h(3) receptors stably expressed in SK-N-MC cells: display of agonism and inverse agonism by H(3) antagonists

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12 December 2020

Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

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12 December 2020

Cloning of rat histamine H(3) receptor reveals distinct species pharmacological profiles

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12 December 2020

Development of a new class of nonimidazole histamine H(3) receptor ligands with combined inhibitory histamine N-methyltransferase activity

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12 December 2020

Histamine H3-receptor isoforms

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12 December 2020

Auto-inhibition of brain histamine release mediated by a novel class (H3) of histamine receptor

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12 December 2020

Molecular dynamics simulations of bovine rhodopsin: influence of protonation states and different membrane-mimicking environments

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12 December 2020

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

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12 December 2020

Consideration of molecular weight during compound selection in virtual target-based database screening

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12 December 2020

10.1007/S10822-007-9127-X

Identifiers

DOI

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17668276%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/SchlegelLMLSSSHS07

2 January 2020

DBLP publication ID

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DBLP Dataset 2021-01-02

28 January 2021

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