Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor

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(2) receptor. These compounds selectively target CB(2) versus CB(...

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Detalles Bibliográficos
Autores principales: Morales, Paula, Navarro, Gemma, Gómez‐Autet, Marc, Redondo, Laura, Fernández‐Ruiz, Javier, Pérez‐Benito, Laura, Cordomí, Arnau, Pardo, Leonardo, Franco, Rafael, Jagerovic, Nadine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7756656/
https://www.ncbi.nlm.nih.gov/pubmed/32794211
http://dx.doi.org/10.1002/chem.202003389
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author Morales, Paula
Navarro, Gemma
Gómez‐Autet, Marc
Redondo, Laura
Fernández‐Ruiz, Javier
Pérez‐Benito, Laura
Cordomí, Arnau
Pardo, Leonardo
Franco, Rafael
Jagerovic, Nadine
author_facet Morales, Paula
Navarro, Gemma
Gómez‐Autet, Marc
Redondo, Laura
Fernández‐Ruiz, Javier
Pérez‐Benito, Laura
Cordomí, Arnau
Pardo, Leonardo
Franco, Rafael
Jagerovic, Nadine
author_sort Morales, Paula
collection PubMed
description 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(2) receptor. These compounds selectively target CB(2) versus CB(1) receptors. Their binding mode was studied by molecular dynamic simulations and site‐directed mutagenesis.
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spelling pubmed-77566562020-12-28 Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor Morales, Paula Navarro, Gemma Gómez‐Autet, Marc Redondo, Laura Fernández‐Ruiz, Javier Pérez‐Benito, Laura Cordomí, Arnau Pardo, Leonardo Franco, Rafael Jagerovic, Nadine Chemistry Communications 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(2) receptor. These compounds selectively target CB(2) versus CB(1) receptors. Their binding mode was studied by molecular dynamic simulations and site‐directed mutagenesis. John Wiley and Sons Inc. 2020-11-09 2020-12-04 /pmc/articles/PMC7756656/ /pubmed/32794211 http://dx.doi.org/10.1002/chem.202003389 Text en © 2020 The Authors. Published by Wiley-VCH GmbH This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Communications
Morales, Paula
Navarro, Gemma
Gómez‐Autet, Marc
Redondo, Laura
Fernández‐Ruiz, Javier
Pérez‐Benito, Laura
Cordomí, Arnau
Pardo, Leonardo
Franco, Rafael
Jagerovic, Nadine
Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor
title Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor
title_full Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor
title_fullStr Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor
title_full_unstemmed Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor
title_short Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor
title_sort discovery of homobivalent bitopic ligands of the cannabinoid cb(2) receptor
topic Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7756656/
https://www.ncbi.nlm.nih.gov/pubmed/32794211
http://dx.doi.org/10.1002/chem.202003389
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