Literature DB >> 32794211

Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB2 Receptor*.

Paula Morales1, Gemma Navarro2, Marc Gómez-Autet3, Laura Redondo1, Javier Fernández-Ruiz4, Laura Pérez-Benito3,5, Arnau Cordomí3, Leonardo Pardo3, Rafael Franco2,6, Nadine Jagerovic1.   

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 CB2 receptor. These compounds selectively target CB2 versus CB1 receptors. Their binding mode was studied by molecular dynamic simulations and site-directed mutagenesis.
© 2020 The Authors. Published by Wiley-VCH GmbH.

Entities:  

Keywords:  CB2 cannabinoid; G protein-coupled receptors; bitopic ligands; molecular dynamics; site-directed mutagenesis

Mesh：

Substances：

Year:  2020        PMID： 32794211      PMCID： PMC7756656          DOI： 10.1002/chem.202003389

Source DB:  PubMed          Journal:  Chemistry        ISSN： 0947-6539            Impact factor:   5.236


  34 in total

1.  Chromenopyrazoles: non-psychoactive and selective CB₁ cannabinoid agonists with peripheral antinociceptive properties.

Authors:  Jose Cumella; Laura Hernández-Folgado; Rocio Girón; Eva Sánchez; Paula Morales; Dow P Hurst; Maria Gómez-Cañas; Maria Gómez-Ruiz; Diana C G A Pinto; Pilar Goya; Patricia H Reggio; María Isabel Martin; Javier Fernández-Ruiz; Artur M S Silva; Nadine Jagerovic
Journal:  ChemMedChem       Date:  2012-02-02       Impact factor: 3.466

2.  Multiple Binding Sites Contribute to the Mechanism of Mixed Agonistic and Positive Allosteric Modulators of the Cannabinoid CB1 Receptor.

Authors:  Noureldin Saleh; Oliver Hucke; Gert Kramer; Esther Schmidt; Florian Montel; Radoslaw Lipinski; Boris Ferger; Timothy Clark; Peter W Hildebrand; Christofer S Tautermann
Journal:  Angew Chem Int Ed Engl       Date:  2018-02-02       Impact factor: 15.336

Review 3.  Emerging structural biology of lipid G protein-coupled receptors.

Authors:  Martin Audet; Raymond C Stevens
Journal:  Protein Sci       Date:  2019-02       Impact factor: 6.725

4.  Probing the Existence of a Metastable Binding Site at the β2-Adrenergic Receptor with Homobivalent Bitopic Ligands.

Authors:  Birgit I Gaiser; Mia Danielsen; Emil Marcher-Rørsted; Kira Røpke Jørgensen; Tomasz M Wróbel; Mikael Frykman; Henrik Johansson; Hans Bräuner-Osborne; David E Gloriam; Jesper Mosolff Mathiesen; Daniel Sejer Pedersen
Journal:  J Med Chem       Date:  2019-08-15       Impact factor: 7.446

5.  Structural basis for molecular recognition at serotonin receptors.

Authors:  Chong Wang; Yi Jiang; Jinming Ma; Huixian Wu; Daniel Wacker; Vsevolod Katritch; Gye Won Han; Wei Liu; Xi-Ping Huang; Eyal Vardy; John D McCorvy; Xiang Gao; X Edward Zhou; Karsten Melcher; Chenghai Zhang; Fang Bai; Huaiyu Yang; Linlin Yang; Hualiang Jiang; Bryan L Roth; Vadim Cherezov; Raymond C Stevens; H Eric Xu
Journal:  Science       Date:  2013-03-21       Impact factor: 47.728

Review 6.  Design of Next-Generation G Protein-Coupled Receptor Drugs: Linking Novel Pharmacology and In Vivo Animal Models.

Authors:  Sophie J Bradley; Andrew B Tobin
Journal:  Annu Rev Pharmacol Toxicol       Date:  2016       Impact factor: 13.820

Review 7.  One for the Price of Two…Are Bivalent Ligands Targeting Cannabinoid Receptor Dimers Capable of Simultaneously Binding to both Receptors?

Authors:  Michelle Glass; Karan Govindpani; Daniel P Furkert; Dow P Hurst; Patricia H Reggio; Jack U Flanagan
Journal:  Trends Pharmacol Sci       Date:  2016-02-22       Impact factor: 17.638

8.  Structural basis of ligand recognition at the human MT1 melatonin receptor.

Authors:  Benjamin Stauch; Linda C Johansson; John D McCorvy; Nilkanth Patel; Gye Won Han; Xi-Ping Huang; Cornelius Gati; Alexander Batyuk; Samuel T Slocum; Andrii Ishchenko; Wolfgang Brehm; Thomas A White; Nairie Michaelian; Caleb Madsen; Lan Zhu; Thomas D Grant; Jessica M Grandner; Anna Shiriaeva; Reid H J Olsen; Alexandra R Tribo; Saïd Yous; Raymond C Stevens; Uwe Weierstall; Vsevolod Katritch; Bryan L Roth; Wei Liu; Vadim Cherezov
Journal:  Nature       Date:  2019-04-24       Impact factor: 49.962

9.  Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB2 Receptor*.

Authors:  Paula Morales; Gemma Navarro; Marc Gómez-Autet; Laura Redondo; Javier Fernández-Ruiz; Laura Pérez-Benito; Arnau Cordomí; Leonardo Pardo; Rafael Franco; Nadine Jagerovic
Journal:  Chemistry       Date:  2020-11-09       Impact factor: 5.236

10.  GPCRdb in 2018: adding GPCR structure models and ligands.

Authors:  Gáspár Pándy-Szekeres; Christian Munk; Tsonko M Tsonkov; Stefan Mordalski; Kasper Harpsøe; Alexander S Hauser; Andrzej J Bojarski; David E Gloriam
Journal:  Nucleic Acids Res       Date:  2018-01-04       Impact factor: 16.971
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  6 in total

Review 1.  Covalent cannabinoid receptor ligands - structural insight and selectivity challenges.

Authors:  Ian Liddle; Michelle Glass; Joel D A Tyndall; Andrea J Vernall
Journal:  RSC Med Chem       Date:  2022-04-04

2.  Orthosteric and Allosteric Dual Targeting of the Nuclear Receptor RORγt with a Bitopic Ligand.

Authors:  Femke A Meijer; Guido J M Oerlemans; Luc Brunsveld
Journal:  ACS Chem Biol       Date:  2021-02-17       Impact factor: 5.100

3.  N-Methyl-D-aspartate (NMDA) and cannabinoid CB2 receptors form functional complexes in cells of the central nervous system: insights into the therapeutic potential of neuronal and microglial NMDA receptors.

Authors:  Rafael Franco; Gemma Navarro; Rafael Rivas-Santisteban; Alejandro Lillo; Jaume Lillo; Joan-Biel Rebassa; Joan S Contestí; Carlos A Saura
Journal:  Alzheimers Res Ther       Date:  2021-11-08       Impact factor: 6.982

Review 4.  The Binding Mode to Orthosteric Sites and/or Exosites Underlies the Therapeutic Potential of Drugs Targeting Cannabinoid CB2 Receptors.

Authors:  Rafael Franco; Paula Morales; Gemma Navarro; Nadine Jagerovic; Irene Reyes-Resina
Journal:  Front Pharmacol       Date:  2022-02-16       Impact factor: 5.810

5.  Regulation of Expression of Cannabinoid CB2 and Serotonin 5HT1A Receptor Complexes by Cannabinoids in Animal Models of Hypoxia and in Oxygen/Glucose-Deprived Neurons.

Authors:  Jaume Lillo; Iu Raïch; Laura Silva; David A Zafra; Alejandro Lillo; Carlos Ferreiro-Vera; Verónica Sánchez de Medina; José Martínez-Orgado; Rafael Franco; Gemma Navarro
Journal:  Int J Mol Sci       Date:  2022-08-26       Impact factor: 6.208

6.  Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB2 Receptor*.

Authors:  Paula Morales; Gemma Navarro; Marc Gómez-Autet; Laura Redondo; Javier Fernández-Ruiz; Laura Pérez-Benito; Arnau Cordomí; Leonardo Pardo; Rafael Franco; Nadine Jagerovic
Journal:  Chemistry       Date:  2020-11-09       Impact factor: 5.236
  6 in total

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