(Q56991394)

2

0 references

Chris de Graaf

object named as

Chris de Graaf

10

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author name string

Enade P. Istyastono

1

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Henry F. Vischer

3

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Martien Kuijer

4

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Luc Roumen

5

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Rogier A. Smits

7

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Iwan J. P. de Esch

8

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Rob Leurs

Creative Commons Attribution-NonCommercial 3.0 Unported

9

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publication date

2015

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published in

MedChemComm

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volume

6

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issue

6

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page(s)

1003-1017

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copyright license

start time

13 August 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

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

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En route to new blockbuster anti-histamines: surveying the offspring of the expanding histamine receptor family

21 January 2018

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The emerging role of the histamine H4 receptor in anti-inflammatory therapy

21 January 2018

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Molecular determinants of selective agonist and antagonist binding to the histamine H₄ receptor

21 January 2018

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Major advances in the development of histamine H4 receptor ligands

21 January 2018

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The first potent and selective non-imidazole human histamine H4 receptor antagonists

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Discovery of quinazolines as histamine H4 receptor inverse agonists using a scaffold hopping approach

21 January 2018

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Fragment-Based Drug Discovery

21 January 2018

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Transforming fragments into candidates: small becomes big in medicinal chemistry

21 January 2018

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Experiences in fragment-based drug discovery

21 January 2018

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A ‘Rule of Three’ for fragment-based lead discovery?

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Small and colorful stones make beautiful mosaics: fragment-based chemogenomics

21 January 2018

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Molecular complexity and fragment-based drug discovery: ten years on.

21 January 2018

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Fragment screening of stabilized G-protein-coupled receptors using biophysical methods

21 January 2018

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Fragment library screening reveals remarkable similarities between the G protein-coupled receptor histamine H₄ and the ion channel serotonin 5-HT₃A.

21 January 2018

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Fragment-based lead discovery on G-protein-coupled receptors

21 January 2018

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Fragment screening of GPCRs using biophysical methods: identification of ligands of the adenosine A(2A) receptor with novel biological activity

21 January 2018

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Complementarity between in silico and biophysical screening approaches in fragment-based lead discovery against the A(2A) adenosine receptor

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Biophysical Fragment Screening of the β 1 -Adrenergic Receptor: Identification of High Affinity Arylpiperazine Leads Using Structure-Based Drug Design

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure-based and fragment-based GPCR drug discovery

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints

21 January 2018

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Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors.

21 January 2018

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From three-dimensional GPCR structure to rational ligand discovery

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Assessment of scaffold hopping efficiency by use of molecular interaction fingerprints

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Comparison of structure- and ligand-based virtual screening protocols considering hit list complementarity and enrichment factors.

21 January 2018

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From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands

21 January 2018

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Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008.

21 January 2018

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Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment

21 January 2018

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The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs.

21 January 2018

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Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges

21 January 2018

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Optimizing fragment and scaffold docking by use of molecular interaction fingerprints

21 January 2018

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Computational approaches for fragment-based and de novo design

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Docking performance of fragments and druglike compounds.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

21 January 2018

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Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure-function of the G protein-coupled receptor superfamily

21 January 2018

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Molecular signatures of G-protein-coupled receptors

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

The receptor concept in 3D: from hypothesis and metaphor to GPCR-ligand structures

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

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

21 January 2018

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Structure of the human histamine H1 receptor complex with doxepin

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure-based discovery of beta2-adrenergic receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure-based discovery of A2A adenosine receptor ligands

21 January 2018

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Structure-Based Discovery of Selective Serotonin 5-HT 1B Receptor Ligands

21 January 2018

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Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

21 January 2018

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Structure-based drug design for G protein-coupled receptors.

21 January 2018

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New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptors

21 January 2018

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

21 January 2018

1 reference

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Delineation of agonist binding to the human histamine H4 receptor using mutational analysis, homology modeling, and ab initio calculations

21 January 2018

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https://api.crossref.org/works/10.1039%2FC5MD00022J

Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening

21 January 2018

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Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor

21 January 2018

1 reference

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Molecular determinants of ligand binding to H4R species variants

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Mapping histamine H4receptor–ligand binding modes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Combining quantum mechanical ligand conformation analysis and protein modeling to elucidate GPCR-ligand binding modes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Triazole Ligands Reveal Distinct Molecular Features That Induce Histamine H4Receptor Affinity and Subtly Govern H4/H3Subtype Selectivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Synthesis and QSAR of quinazoline sulfonamides as highly potent human histamine H4 receptor inverse agonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure and dynamics of the M3 muscarinic acetylcholine receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Structural Basis for Molecular Recognition at Serotonin Receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Fragment-based approaches and computer-aided drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT(3)A, Histamine H(1), and Histamine H(4) Receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

ChEMBL: a large-scale bioactivity database for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Analysis of multiple histamine H₄ receptor compound classes uncovers Gαi protein- and β-arrestin2-biased ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Detailed analysis of biased histamine H₄ receptor signalling by JNJ 7777120 analogues

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Identification and hit-to-lead exploration of a novel series of histamine H4 receptor inverse agonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Design and pharmacological characterization of VUF14480, a covalent partial agonist that interacts with cysteine 98(3.36) of the human histamine H₄ receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

The significance of G protein-coupled receptor crystallography for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Conserved Binding Mode of Human β 2 Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Phenylalanine 169 in the second extracellular loop of the human histamine H4 receptor is responsible for the difference in agonist binding between human and mouse H4 receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Agonist/antagonist modulation in a series of 2-aryl benzimidazole H4 receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Agonist-biased signaling at the histamine H4 receptor: JNJ7777120 recruits β-arrestin without activating G proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Paradoxical stimulatory effects of the "standard" histamine H4-receptor antagonist JNJ7777120: the H4 receptor joins the club of 7 transmembrane domain receptors exhibiting functional selectivity.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Molecular determinants for the high constitutive activity of the human histamine H4 receptor: functional studies on orthologues and mutants

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Extended-connectivity fingerprints

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Empirical scoring functions for advanced protein-ligand docking with PLANTS.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Customizing G Protein-coupled receptor models for structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

pROC: an open-source package for R and S+ to analyze and compare ROC curves

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Comparison of molecular fingerprint methods on the basis of biological profile data

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

ZINC--a free database of commercially available compounds for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Property distribution of drug-related chemical databases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

The Universal Protein Resource (UniProt): an expanding universe of protein information

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

An activation switch in the rhodopsin family of G protein-coupled receptors: the thyrotropin receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

GROMACS: fast, flexible, and free

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Recommendations for evaluation of computational methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00022J