QSAR and Molecular Modelling Studies on Histamine H1-Receptor Antagonists

1992 ◽  
Vol 11 (3) ◽  
pp. 348-363 ◽  
Author(s):  
Anton M. Ter Laak ◽  
Marc J. van Drooge ◽  
Hendrik Timmerman ◽  
Gabrielle M. Donné-Op den Kelder
Keyword(s):  
Molecular Modelling ◽  
H1 Receptor ◽  
Receptor Antagonists ◽  
Histamine H1 Receptor ◽  
Molecular Modelling Studies ◽  
Modelling Studies

Molecular modelling studies with CCK-B receptor antagonists

1993 ◽  
pp. 466-470
Author(s):  
Giovanni Greco ◽  
Ettore Novellino ◽  
Carlo Silipo ◽  
Antonio Vittoria
Keyword(s):  
Molecular Modelling ◽  
Receptor Antagonists ◽  
Molecular Modelling Studies ◽  
Modelling Studies

New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies

2006 ◽  
Vol 62 (5) ◽  
pp. 889-896 ◽  
Author(s):  
Maria Altamura ◽  
Paolo Dapporto ◽  
Valentina Fedi ◽  
Alessandro Giolitti ◽  
Annalisa Guerri ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Structure Determination ◽  
Experimental Validation ◽  
Receptor Antagonists ◽  
X Ray ◽  
Promising Target ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Turn Structure

The human tachykinin NK-2 (hNK-2) receptor is considered a promising target for relevant pathologies at the respiratory, gastrointestinal and genitourinary level. With the aim of reducing the complexity of existing peptide antagonists, two series of hNK-2 receptor antagonists were designed, with the support of modelling, and synthesized. The X-ray structure determination of two compounds, each belonging to one of the two series, allowed the experimental validation of the initial rationale. In addition, it has been found that the two series share a β-turn structure, a key feature for binding the hNK-2 receptor.

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