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GPCR Targeted Library Design: Novel Dopamine D 3 Receptor Ligands
Author(s) -
Böcker A.,
Sasse B. C.,
Nietert M.,
Stark H.,
Schneider G.
Publication year - 2007
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200700067
Subject(s) - g protein coupled receptor , dopamine receptor d3 , receptor , chemistry , dopamine , dopamine receptor , computational biology , biology , pharmacology , neuroscience , biochemistry
GPCR‐focused compound libraries were designed by strategic iterative virtual screening. The most potent ligands yielded K i values of 65 n M at the dopamine D 3 receptor subtype. Two potential binding modes were observed for receptor antagonists in a homology‐based model of the dopamine D 3 receptor. Results demonstrate opportunities for a combination of different virtual screening methods in early stages of GPCR drug discovery for new lead finding.