title: Chemogenomics strategies for G-protein coupled receptor hit finding.
abstract: Targeting protein superfamilies via chemogenomics is based on a similarity clustering of gene sequences and molecular structures of ligands. Both target and ligand clusters are linked by generating binding affinity profiles of chemotypes vs a target panel. The application of this multidimensional similarity paradigm will be described in the context of Lead Generation to identify novel chemical hit classes for G-protein coupled receptors.
authors.affiliation: F. Hoffmann-La Roche Ltd., Basel, Switzerland. wolfgang.guba@roche.com
authors.forename: W
authors.initials: W
authors.lastname: Guba
mesh_terms: D000818:Animals; D002626:Chemistry, Pharmaceutical / Q000379:methods; D004345:Drug Industry / Q000379:methods*; D006801:Humans; D008024:Ligands; D008968:Molecular Conformation; D010597:Pharmacogenetics / Q000379:methods*; D011485:Protein Binding; D043562:Receptors, G-Protein-Coupled / Q000737:chemistry* / Q000235:genetics*
chemical_list: D008024:Ligands; D043562:Receptors, G-Protein-Coupled