Recent advances in structure-based virtual screening of G-protein coupled receptors.
In addition to the rhodopsin crystal structure, high-resolution crystal structures of ligand-mediated G-protein-coupled receptors (GPCRs) have recently become available, and these have become attractive templates for developing homology models of several GPCRs of therapeutic interest. These crystal structures and the homology models derived from them have provided significant insights into ligand-receptor interactions. Moreover, several studies have demonstrated that the structural models are indeed suitable for virtual screening of compound databases to identify new ligands for various GPCRs. Recent examples of such virtual screening against GPCRs are discussed in this review.
Ananthan
Subramaniam
S
Drug Discovery Division, Southern Research Institute, 2000 Ninth Avenue South, Birmingham, AL 35205, USA. ananthan@sri.org
Zhang
Wei
W
Hobrath
Judith Varady
JV
D000818:Animals; D018360:Crystallography, X-Ray; D055808:Drug Discovery; D004353:Drug Evaluation, Preclinical; D006728:Hormones / Q000378:metabolism; D006801:Humans; D008024:Ligands; D008956:Models, Chemical; D008958:Models, Molecular; D018377:Neurotransmitter Agents / Q000378:metabolism; D011485:Protein Binding; D011487:Protein Conformation; D043562:Receptors, G-Protein-Coupled / Q000737:chemistry* / Q000378:metabolism; D017981:Receptors, Neurotransmitter / Q000737:chemistry / Q000378:metabolism; D018000:Receptors, Peptide / Q000737:chemistry / Q000378:metabolism; D013329:Structure-Activity Relationship
D006728:Hormones; D008024:Ligands; D018377:Neurotransmitter Agents; D043562:Receptors, G-Protein-Coupled; D017981:Receptors, Neurotransmitter; D018000:Receptors, Peptide