The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family

Authors
Webb, TR Melman, N Lvovskiy, D Ji, XD Jacobson, KA
Citation
Tr. Webb et al., The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family, BIOORG MED, 10(1), 2000, pp. 31-34
Citations number
25
Categorie Soggetti
Chemistry & Analysis
Journal title
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
ISSN journal
0960894X → ACNP
Volume
10
Issue
1
Year of publication
2000
Pages
31 - 34
Database
ISI
SICI code
0960-894X(20000103)10:1<31:TUOAUP>2.0.ZU;2-3
Abstract
Pharmacophore queries from previously known potent selective A(3) antagonis ts were generated by Chem-X. These queries were used to search a pharmacoph ore database of diverse compounds (CNS-Set(TM)). In vitro assays of 186 'hi ts' yielded over 30 active compounds, for four adenosine receptor subtypes. This search strategy may also be applicable to the discovery of new ligand s via receptor homology data. (C) 1999 Elsevier Science Ltd. All rights res erved.