A vHTS approach for the identification of beta-adrenoceptor ligands.
Using a vHTS based on a pharmacophore alignment on known beta3-adrenoceptor ligands, a set of intriguing beta-adrenoceptor ligands was identified, optimization of which resulted in a selective and potent human beta2-AR antagonist.
Tasler
Stefan
S
4SC AG, Am Klopferspitz 19a, 82152 Planegg-Martinsried, Germany. stefan.tasler@4sc.com
Baumgartner
Roland
R
Aschenbrenner
Andrea
A
Ammendola
Astrid
A
Wolf
Kristina
K
Wieber
Tanja
T
Schachtner
Josef
J
Blisse
Marcus
M
Quotschalla
Udo
U
Ney
Peter
P
D006207:Half-Life; D006801:Humans; D006860:Hydrogen Bonding; D008024:Ligands; D008958:Models, Molecular; D011943:Receptors, Adrenergic, beta / Q000378:metabolism*
D008024:Ligands; D011943:Receptors, Adrenergic, beta