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

Paula Morales, Gemma Navarro, Marc Gómez-Autet, Laura Redondo, Javier Fernández-Ruiz, Laura Pérez-Benito, Arnau Cordomí, Leonardo Pardo, Rafael Franco, Nadine Jagerovic

Chemistry (Weinheim an der Bergstrasse, Germany) 2020 Dec 04

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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.

Citation

Paula Morales, Gemma Navarro, Marc Gómez-Autet, Laura Redondo, Javier Fernández-Ruiz, Laura Pérez-Benito, Arnau Cordomí, Leonardo Pardo, Rafael Franco, Nadine Jagerovic. Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB2 Receptor*. Chemistry (Weinheim an der Bergstrasse, Germany). 2020 Dec 04;26(68):15839-15842