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Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB2 Receptor*.
Morales, Paula; Navarro, Gemma; Gómez-Autet, Marc; Redondo, Laura; Fernández-Ruiz, Javier; Pérez-Benito, Laura; Cordomí, Arnau; Pardo, Leonardo; Franco, Rafael; Jagerovic, Nadine.
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  • Morales P; Medicinal Chemistry Institute, Spanish Research Council, Madrid, Spain.
  • Navarro G; Department of Biochemistry and Physiology, CIBERNED, Faculty of Pharmacy and Food Sciences, Universitat de Barcelona, Barcelona, Spain.
  • Gómez-Autet M; Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Autónoma de Barcelona, Barcelona, Spain.
  • Redondo L; Medicinal Chemistry Institute, Spanish Research Council, Madrid, Spain.
  • Fernández-Ruiz J; Department of Biochemistry and Molecular Biology, CIBERNED, IRYCIS, Faculty of Medicine, Universidad Complutense de Madrid, Madrid, Spain.
  • Pérez-Benito L; Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Autónoma de Barcelona, Barcelona, Spain.
  • Cordomí A; Present address: Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N.V., Belgium.
  • Pardo L; Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Autónoma de Barcelona, Barcelona, Spain.
  • Franco R; Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Autónoma de Barcelona, Barcelona, Spain.
  • Jagerovic N; Department of Biochemistry and Physiology, CIBERNED, Faculty of Pharmacy and Food Sciences, Universitat de Barcelona, Barcelona, Spain.
Chemistry ; 26(68): 15839-15842, 2020 Dec 04.
Article en En | MEDLINE | ID: mdl-32794211
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 CB2 receptor. These compounds selectively target CB2 versus CB1 receptors. Their binding mode was studied by molecular dynamic simulations and site-directed mutagenesis.
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Receptor Cannabinoide CB2 Idioma: En Revista: Chemistry Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: España
Texto completo
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XML
PubMed Links
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Receptor Cannabinoide CB2 Idioma: En Revista: Chemistry Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: España