Computational Drug Design Applied to the Study of Metabotropic Glutamate Receptors
Llinas del Torrent, Claudia (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública)
Pérez-Benito, Laura (Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Belgium)
Tresadern, Gary (Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Belgium)

Date:	2019
Abstract:	Metabotropic glutamate (mGlu) receptors are a family of eight GPCRs that are attractive drug discovery targets to modulate glutamate action and response. Here we review the application of computational methods to the study of this family of receptors. X-ray structures of the extracellular and 7-transmembrane domains have played an important role to enable structure-based modeling approaches, whilst we also discuss the successful application of ligand-based methods. We summarize the literature and highlight the areas where modeling and experiment have delivered important understanding for mGlu receptor drug discovery. Finally, we offer suggestions of future areas of opportunity for computational work.
Grants:	European Commission. Horizon 2020 675451
Rights:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original.
Language:	Anglès
Document:	Article ; recerca ; Versió publicada
Subject:	Mglu ; Mglur ; Homology model ; Virtual screening ; Molecular dynamics ; Allosteric modulator ; GPCR ; Ligand-based design ; Structure-based design
Published in:	Molecules, Vol. 24 (march 2019) , ISSN 1420-3049

DOI: 10.3390/molecules24061098
PMID: 30897742

22 p, 4.6 MB

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