PREDICTION OF STRUCTURE OF G-PROTEIN COUPLED RECEPTORS AND OF BOUND LIGANDS, WITH APPLICATIONS FOR DRUG DESIGN
PREDICTION OF STRUCTURE OF G-PROTEIN COUPLED RECEPTORS AND OF BOUND LIGANDS, WITH APPLICATIONS FOR DRUG DESIGN
G protein-coupled receptors (GPCRs) mediate the senses of vision, smell, taste, and pain. They are also involved in cell recognition and communication processes, making them a prominent superfamily for drug targets. Unfortunately, the atomic-level structure is available from experiment only for bovine rhodopsin. We report here improvements in methods (MembStruk and HierDock) for predicting the structures of GPCRs, including bound ligands, with applications to prostanoid and Urotensin GPCRs. We find that the predicted binding sites are consistent with available mutation and SAR data, suggesting that the predicted structures are sufficiently accurate for drug design applications.
- California Institute of Technology United States
Models, Molecular, Binding Sites, Protein Conformation, Urotensins, Receptors, Prostaglandin, Computational Biology, Ligands, Receptors, G-Protein-Coupled, Drug Design, Prostaglandins, Humans, Thermodynamics, Computer Simulation, Amino Acid Sequence
Models, Molecular, Binding Sites, Protein Conformation, Urotensins, Receptors, Prostaglandin, Computational Biology, Ligands, Receptors, G-Protein-Coupled, Drug Design, Prostaglandins, Humans, Thermodynamics, Computer Simulation, Amino Acid Sequence
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).0 popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.Average influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).Average impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.Average
Citations provided by BIP!Popularity provided by BIP!