title: Ligand identification for G-protein-coupled receptors: a lead generation perspective.
abstract: This review addresses strategies for the generation of ligands for G-protein-coupled receptors outside classical high-throughput screening and literature based approaches. These range from the chemical intuition-based strategies of endogenous ligand elaboration and privileged structure decoration to the in silico approaches of virtual screening and de novo design. Examples are cited where supporting pharmacological data has been presented.
authors.affiliation: F Hoffmann-La Roche Ltd, Pharmaceuticals Division, Lead Generation, PRBD-CI, Bldg 65/410, CH-4070 Basel, Switzerland. konrad.bleicher@roche.com
authors.forename: Konrad H
authors.initials: KH
authors.lastname: Bleicher
authors.forename: Luke G
authors.initials: LG
authors.lastname: Green
authors.forename: Rainer E
authors.initials: RE
authors.lastname: Martin
authors.forename: Mark
authors.initials: M
authors.lastname: Rogers-Evans
mesh_terms: D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D019295:Computational Biology; D016208:Databases, Factual; D015195:Drug Design; D007093:Imidazoles / Q000737:chemistry; D008024:Ligands; D015394:Molecular Structure; D010880:Piperidines / Q000737:chemistry; D043562:Receptors, G-Protein-Coupled / Q000737:chemistry / Q000187:drug effects / Q000378:metabolism*; D018100:Receptors, Histamine H3 / Q000378:metabolism; D013890:Thiourea / Q000031:analogs & derivatives* / Q000737:chemistry
chemical_list: D007093:Imidazoles; D008024:Ligands; D010880:Piperidines; D043562:Receptors, G-Protein-Coupled; D018100:Receptors, Histamine H3; D013890:Thiourea; C086108:clobenpropit