A vHTS approach for the identification of beta-adrenoceptor ligands

Stefan Tasler; Roland Baumgartner; Andrea Aschenbrenner; Astrid Ammendola; Kristina Wolf; Tanja Wieber; Josef Schachtner; Marcus Blisse; Udo Quotschalla; Peter Ney

doi:10.1016/j.bmcl.2010.04.009

A vHTS approach for the identification of beta-adrenoceptor ligands

Bioorg Med Chem Lett. 2010 Jun 1;20(11):3399-404. doi: 10.1016/j.bmcl.2010.04.009. Epub 2010 Apr 9.

Authors

Stefan Tasler¹, Roland Baumgartner, Andrea Aschenbrenner, Astrid Ammendola, Kristina Wolf, Tanja Wieber, Josef Schachtner, Marcus Blisse, Udo Quotschalla, Peter Ney

Affiliation

¹ 4SC AG, Am Klopferspitz 19a, 82152 Planegg-Martinsried, Germany. stefan.tasler@4sc.com

PMID: 20434333
DOI: 10.1016/j.bmcl.2010.04.009

Abstract

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.

MeSH terms

Half-Life
Humans
Hydrogen Bonding
Ligands
Models, Molecular
Receptors, Adrenergic, beta / metabolism*

Substances

Ligands
Receptors, Adrenergic, beta