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In silico study of allosteric communication networks in GPCR signaling bias

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dc.contributor.author Morales Pastor, Adrián
dc.contributor.author Nerín-Fonz, Francho
dc.contributor.author Aranda García, David
dc.contributor.author Dieguez-Eceolaza, Miguel
dc.contributor.author Medel Lacruz, Brian
dc.contributor.author Torrens Fontanals, Mariona
dc.contributor.author Peralta-Garcia, Alejandro
dc.contributor.author Selent, Jana
dc.date.accessioned 2023-01-31T07:14:41Z
dc.date.available 2023-01-31T07:14:41Z
dc.date.issued 2002
dc.identifier.citation Morales-Pastor A, Nerín-Fonz F, Aranda-García D, Dieguez-Eceolaza M, Medel-Lacruz B, Torrens-Fontanals M, Peralta-García A, Selent J. In silico study of allosteric communication networks in GPCR signaling bias. Int J Mol Sci. 2022 Jul 15;23(14):7809. DOI: 10.3390/ijms23147809
dc.identifier.issn 1422-0067
dc.identifier.uri http://hdl.handle.net/10230/55490
dc.description.abstract Signaling bias is a promising characteristic of G protein-coupled receptors (GPCRs) as it provides the opportunity to develop more efficacious and safer drugs. This is because biased ligands can avoid the activation of pathways linked to side effects whilst still producing the desired therapeutic effect. In this respect, a deeper understanding of receptor dynamics and implicated allosteric communication networks in signaling bias can accelerate the research on novel biased drug candidates. In this review, we aim to provide an overview of computational methods and techniques for studying allosteric communication and signaling bias in GPCRs. This includes (i) the detection of allosteric communication networks and (ii) the application of network theory for extracting relevant information pipelines and highly communicated sites in GPCRs. We focus on the most recent research and highlight structural insights obtained based on the framework of allosteric communication networks and network theory for GPCR signaling bias.
dc.format.mimetype application/pdf
dc.language.iso eng
dc.publisher MDPI
dc.relation.ispartof Int J Mol Sci. 2022 Jul 15;23(14):7809
dc.rights © 2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
dc.rights.uri https://creativecommons.org/licenses/by/4.0/
dc.title In silico study of allosteric communication networks in GPCR signaling bias
dc.type info:eu-repo/semantics/article
dc.identifier.doi http://dx.doi.org/10.3390/ijms23147809
dc.subject.keyword GPCR
dc.subject.keyword Allosteric communication networks
dc.subject.keyword Biased agonist
dc.subject.keyword Functional selectivity
dc.subject.keyword Molecular dynamics
dc.subject.keyword Network theory
dc.subject.keyword Receptor dynamics
dc.subject.keyword Signaling bias
dc.rights.accessRights info:eu-repo/semantics/openAccess
dc.type.version info:eu-repo/semantics/publishedVersion


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