Structure-Based Discovery of Negative Allosteric Modulators of the Metabotropic Glutamate Receptor 5
Stefanie Kampen, David Rodríguez, Morten Egevang Jørgensen, Monika Kruszyk-Kujawa, Xinyan Huang, Michael J. Collins, Noel Boyle, Damien Maurel, Axel Rudling, Guillaume Lebon, Jens Carlsson
Abstract
signaling in functional assays. The results demonstrate that virtual screens of fragment- and lead-like chemical libraries have complementary advantages and illustrate how access to high-resolution structures of GPCRs in complex with allosteric modulators can accelerate lead discovery.
Topics & Concepts
Allosteric regulationMetabotropic glutamate receptorAllosteric modulatorG protein-coupled receptorMetabotropic glutamate receptor 2Drug discoveryMetabotropic glutamate receptor 5Virtual screeningChemistryMetabotropic receptorGlutamate receptorReceptorBiologyBiochemistryComputational biologyReceptor Mechanisms and SignalingNeuroscience and Neuropharmacology ResearchComputational Drug Discovery Methods