A vHTS approach for the identification of β-adrenoceptor ligands

A vHTS approach for the identification of β-adrenoceptor ligands

Using a vHTS based on a pharmacophore alignment on known β3-adrenoceptor ligands, a set of intriguing β-adrenoceptor ligands was identified, optimization of which resulted in a selective and potent human β2-AR antagonist.

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Veröffentlicht in:Bioorganic & medicinal chemistry letters 2010-06, Vol.20 (11), p.3399-3404
Hauptverfasser: Tasler, Stefan, Baumgartner, Roland, Aschenbrenner, Andrea, Ammendola, Astrid, Wolf, Kristina, Wieber, Tanja, Schachtner, Josef, Blisse, Marcus, Quotschalla, Udo, Ney, Peter
Format: Artikel
Sprache:eng
Schlagworte:
Adrenoceptor
GPCR
Half-Life
Humans
Hydrogen Bonding
Ligands
Models, Molecular
Molecular modeling
Receptors, Adrenergic, beta - metabolism
Virtual high throughput screening
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Zusammenfassung:Using a vHTS based on a pharmacophore alignment on known β3-adrenoceptor ligands, a set of intriguing β-adrenoceptor ligands was identified, optimization of which resulted in a selective and potent human β2-AR antagonist.
ISSN:0960-894X
1464-3405
DOI:10.1016/j.bmcl.2010.04.009