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

Paula Morales Gemma NavarroMarc Gómez-AutetLaura RedondoJavier Fernández-Ruiz Laura Perez Benito Arnau Cordomi Leonardo Pardo Rafael Franco Nadine Jagerovic

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2020)

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.

Keyphrases

crispr cas
small molecule
binding protein
high throughput
risk assessment
climate change