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

AJ Kooistra, S Kuhne, IJP De Esch… - British journal of …, 2013 - Wiley Online Library
Background and Purpose Chemogenomics focuses on the discovery of new connections
between chemical and biological space leading to the discovery of new protein targets and …

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

C de Graaf, HF Vischer, GE de Kloe, AJ Kooistra… - Drug Discovery …, 2013 - Elsevier
Smaller stones with a wide variety of colors make a higher resolution mosaic. In much the
same way, smaller chemical entities that are structurally diverse are better able to …

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

F Sirci, EP Istyastono, HF Vischer… - Journal of chemical …, 2012 - ACS Publications
Virtual fragment screening (VFS) is a promising new method that uses computer models to
identify small, fragment-like biologically active molecules as useful starting points for …

[PDF][PDF] Molecular pharmacology of histamine H4 receptors

S Nijmeijer, C de Graaf, R Leurs… - Front Biosci (Landmark …, 2012 - article.imrpress.com
Introduction/history 3. H4R gene 4. H4R expression profile 5. H4R protein structure and post-
translational modifications 5.1. H4R assembly in the cell membrane 6. H4R ligands 6.1. H4R …

Molecular Determinants of Ligand Binding Modes in the Histamine H4 Receptor: Linking Ligand-Based Three-Dimensional Quantitative Structure–Activity …

EP Istyastono, S Nijmeijer, HD Lim… - Journal of medicinal …, 2011 - ACS Publications
The histamine H4 receptor (H4R) is a G protein-coupled receptor (GPCR) that plays an
important role in inflammation. Similar to the homologous histamine H3 receptor (H3R), two …

Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H 4 receptor

EP Istyastono, AJ Kooistra, HF Vischer, M Kuijer… - …, 2015 - pubs.rsc.org
We have explored the possibilities and challenges of structure-based virtual screening
(SBVS) against the human histamine H4 receptor (H4R), a key player in inflammatory …

Design and pharmacological characterization of VUF14480, a covalent partial agonist that interacts with cysteine 983.36 of the human histamine H4 receptor

S Nijmeijer, H Engelhardt, S Schultes… - British Journal of …, 2013 - Wiley Online Library
Background and Purpose The recently proposed binding mode of 2‐aminopyrimidines to
the human (h) histamine H4 receptor suggests that the 2‐amino group of these ligands …

Challenges of drug discovery in novel target space. The discovery and evaluation of PF-3893787: a novel histamine H4 receptor antagonist

CE Mowbray, AS Bell, NP Clarke, M Collins… - Bioorganic & medicinal …, 2011 - Elsevier
We describe the development of novel benzimidazoles as small molecule histamine H4
receptor (H4R) antagonists and their profiling in rat early toxicity studies. The discovery and …

Mapping histamine H 4 receptor–ligand binding modes

S Schultes, S Nijmeijer, H Engelhardt, AJ Kooistra… - …, 2013 - pubs.rsc.org
The increasing number of G protein-coupled receptor (GPCR) crystal structures offers new
opportunities for histamine receptor homology modeling. However, computational prediction …

[PDF][PDF] Computer-aided design of chalcone derivatives as lead compounds targeting acetylcholinesterase

FDO Riswanto, M Hariono, SH Yuliani… - Indonesian J …, 2017 - academia.edu
One of well-established biological activities for chalcone derivatives is as
acetylcholinesterase inhibitors, which can be developed for the therapy of Alzheimer's …