title: Allosteric communication pipelines in G-protein-coupled receptors.
abstract: The binding of ligands to G-protein-coupled receptors (GPCRs) in the extracellular region transmits the signal to the intracellular region to initiate coupling to effector proteins. The mechanism of this allosteric communication remains largely unexplored. Knowledge of the residues involved in the pipeline of the allosteric communication from the extracellular to the intracellular region will provide means to (a) design ligands with bias in potency towards one signaling pathway over others, and (b) design allosteric modulators that show subtype selectivity in GPCRs. In this review we describe the current state of the computational methods that provide insights into the allosteric communication in GPCRs and elucidate how this information can be used to design allosteric modulators.
authors: Department of Molecular Immunology, Beckman Research Institute of the City of Hope, 1500 East Duarte Road, Duarte, CA 91010, USA. Electronic address: nvaidehi@coh.org.
authors: Nagarajan
authors: N
authors: Vaidehi
authors: Department of Molecular Immunology, Beckman Research Institute of the City of Hope, 1500 East Duarte Road, Duarte, CA 91010, USA.
authors: Supriyo
authors: S
authors: Bhattacharya
mesh_terms: D000494:Allosteric Regulation; D000495:Allosteric Site; D003198:Computer Simulation; D015195:Drug Design; D006801:Humans; D008024:Ligands; D043562:Receptors, G-Protein-Coupled / Q000378:metabolism*; D015398:Signal Transduction / Q000187:drug effects
chemical_list: D008024:Ligands; D043562:Receptors, G-Protein-Coupled