Design of a gene family screening library targeting G-protein coupled receptors.
An iterative process for the design of a G-protein coupled receptor (GPCR) gene family screening library has been developed. A key element of this process is the computational generation of pharmacophore descriptors of known GPCR ligands. Subsequent iterative analysis allows prioritization of scaffolds and sub-libraries for inclusion in the library. The final library, which consisted of 13,769 compounds, displayed a 2.6% hit rate when screened against the micro-opioid receptor.
Lamb
Michelle L
ML
Deltagen Research Laboratories, 740 Bay Rd., Redwood City, CA 94063, USA. michelle.lamb@astrazeneca.com
Bradley
Erin K
EK
Beaton
Graham
G
Bondy
Steven S
SS
Castellino
Angelo J
AJ
Gibbons
Paul A
PA
Suto
Mark J
MJ
Grootenhuis
Peter D J
PD
D020650:Combinatorial Chemistry Techniques; D015195:Drug Design; D015723:Gene Library; D008024:Ligands; D015394:Molecular Structure; D005810:Multigene Family; D043562:Receptors, G-Protein-Coupled / Q000145:classification / Q000235:genetics* / Q000378:metabolism
D008024:Ligands; D043562:Receptors, G-Protein-Coupled