Binding mode analysis and enrichment studies on homology models of the human histamine H4 receptor

2008 ◽  
Vol 43 (5) ◽  
pp. 1059-1070 ◽  
Author(s):  
Róbert Kiss ◽  
Béla Noszál ◽  
Ákos Rácz ◽  
András Falus ◽  
Dániel Erős ◽  
...  
Keyword(s):  
Binding Mode ◽  
Mode Analysis ◽  
Histamine H4 Receptor ◽  
H4 Receptor ◽  
Human Histamine ◽  
Homology Models

scholarly journals Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor

MedChemComm ◽  
2015 ◽  
Vol 6 (6) ◽  
pp. 1003-1017 ◽  
Author(s):  
Enade P. Istyastono ◽  
Albert J. Kooistra ◽  
Henry F. Vischer ◽  
Martien Kuijer ◽  
Luc Roumen ◽  
...  
Keyword(s):  
Virtual Screening ◽  
G Protein ◽  
Histamine H4 Receptor ◽  
H4 Receptor ◽  
G Protein Coupled ◽  
Homology Models

Structure-based virtual screening using H1R- and β2R-based histamine H4R homology models identified 9 fragments with an affinity ranging from 0.14 to 6.3 μm for H4R.

Discovery of Novel Human Histamine H4 Receptor Ligands by Large-Scale Structure-Based Virtual Screening

2008 ◽  
Vol 51 (11) ◽  
pp. 3145-3153 ◽  
Author(s):  
Róbert Kiss ◽  
Béla Kiss ◽  
Árpád Könczöl ◽  
Ferenc Szalai ◽  
Ivett Jelinek ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Large Scale ◽  
Large Scale Structure ◽  
Scale Structure ◽  
Receptor Ligands ◽  
Histamine H4 Receptor ◽  
H4 Receptor ◽  
Human Histamine

scholarly journals Mechanism of Selective Inhibition of Yohimbine and Its Derivatives in Adrenoceptorα2 Subtypes

2013 ◽  
Vol 2013 ◽  
pp. 1-9 ◽  
Author(s):  
Liu Hai-Bo ◽  
Peng Yong ◽  
Huang Lu-qi ◽  
Xu Jun ◽  
Xiao Pei-Gen
Keyword(s):  
Molecular Dynamics ◽  
Selective Inhibition ◽  
Binding Mode ◽  
Mode Analysis ◽  
Inhibiting Activity ◽  
Binding Modes ◽  
Molecular Dynamics Methods ◽  
Subtype A ◽  
Key Residues ◽  
Homology Models

Some natural alkaloids from medicinal plants, such as yohimbine and its derivatives, have been reported with adrenoceptor (AR)α2 subtypes inhibiting activity. In trying to address the possible mechanism of the action, a set of homology models of ARα2 was built based on MOE. After that, docking and molecular dynamics methods were used to investigate the binding modes of yohimbine and its 2 derivatives in the active pocket of adrenoceptorα2 subtype A, B, and C. The key interactions between the 3 ligands and the 3 receptors were mapped. Binding mode analysis presents a strong identity in the key residues in each subtype. Only a few differences play the key role in modulating selectivity of yohimbine and its derivatives. These results can guide the design of new selective ARα2 inhibitors.

In Silico Characterization of Ligand Binding Modes in the Human Histamine H4 Receptor and their Impact on Receptor Activation

ChemBioChem ◽  
2010 ◽  
Vol 11 (13) ◽  
pp. 1850-1855 ◽  
Author(s):  
Tim Werner ◽  
Kerstin Sander ◽  
Yusuf Tanrikulu ◽  
Tim Kottke ◽  
Ewgenij Proschak ◽  
...  
Keyword(s):  
Ligand Binding ◽  
In Silico ◽  
Receptor Activation ◽  
Binding Modes ◽  
Histamine H4 Receptor ◽  
H4 Receptor ◽  
In Silico Characterization ◽  
Human Histamine

Genetic variations within the promotor region of the human histamine H4 receptor gene in psoriasis patients

2016 ◽  
Vol 114 ◽  
pp. 121-127 ◽  
Author(s):  
Susanne Mommert ◽  
Lisanne Ratz ◽  
Kira Herwig ◽  
Maren Rost ◽  
Ralf Gutzmer ◽  
...  
Keyword(s):  
Receptor Gene ◽  
Genetic Variations ◽  
Histamine H4 Receptor ◽  
Promotor Region ◽  
H4 Receptor ◽  
Human Histamine
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