Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB Receptor

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RECERCAT Home > Universitat Autònoma de Barcelona > Articles escrits per personal UAB o publicats per la universitat > View document

dc.contributor.author	Morales, Paula
dc.contributor.author	Navarro, Gemma
dc.contributor.author	Gómez-Autet, Marc
dc.contributor.author	Redondo, Laura
dc.contributor.author	Fernández-Ruiz, Javier
dc.contributor.author	Pérez-Benito, Laura
dc.contributor.author	Cordomí Montoya, Arnau
dc.contributor.author	Pardo Carrasco, Leonardo
dc.contributor.author	Franco, Rafael
dc.contributor.author	Jagerovic, Nadine
dc.date	2020
dc.identifier	https://ddd.uab.cat/record/238561
dc.identifier	urn:10.1002/chem.202003389
dc.identifier	urn:oai:ddd.uab.cat:238561
dc.identifier	urn:pmcid:PMC7756656
dc.identifier	urn:pmc-uid:7756656
dc.identifier	urn:pmid:32794211
dc.identifier	urn:articleid:15213765v26p15839
dc.identifier	urn:oai:pubmedcentral.nih.gov:7756656
dc.format	application/pdf
dc.language	eng
dc.publisher
dc.relation	Ministerio de Ciencia e Innovación RTI2018-095544-B-I00
dc.relation	Ministerio de Ciencia e Innovación PID2019-109240RB-I00
dc.relation	Ministerio de Ciencia e Innovación SAF2017-84117-R
dc.relation	Chemistry ; Vol. 26 (november 2020), p. 15839-15842
dc.rights	open access
dc.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.
dc.rights	https://creativecommons.org/licenses/by/4.0/
dc.subject	Bitopic ligands
dc.subject	CB2 cannabinoid
dc.subject	G protein-coupled receptors
dc.subject	Molecular dynamics
dc.subject	Site-directed mutagenesis
dc.title	Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB Receptor
dc.type	Article
dc.description.abstract	Altres ajuts: This work was supported bythe CSIC (PIE-201580E033). P.M. is grateful to the CM program "Atracción de Talento Investigador" number 2018-T2/BMD-1081.
dc.description.abstract	Single chemical entities with potential to simultaneously interact with two binding sites are emerging strategies in medicinal chemistry. We have designed, synthesized and functionally characterized the first bitopic ligands for the CB receptor. These compounds selectively target CB versus CB receptors. Their binding mode was studied by molecular dynamic simulations and site-directed mutagenesis. Single chemical entities with potential to simultaneously interact with two binding sites are emerging strategies in GPCR pharmacology. We present herein the design, synthesis and functional characterization of the first bitopic ligands for the CB receptor. Molecular understanding of the binding mode was guided by molecular dynamic simulations and site-directed mutagenesis.

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