A bio-inspired enantioselective small-molecule artificial receptor for β adrenergic agonists and antagonists and its application for enantioselective extraction.

Ángel L Fuentes de ArribaLuis SimónOmayra H RubioLaura M MonleónVictoria AlcázarFrancisca SanzCésar A RaposoJoaquín R Morán

Published in: Chemical communications (Cambridge, England) (2018)

Administration of enantiomerically pure β-adrenergic agonists and antagonists increases their activity and reduces side effects. We report here a small-molecule artificial receptor (SMAR) that, by mimicking the β-adrenergic receptor, is able to enantioselectively extract commercial β-adrenergic interacting drugs. The selectivity is justified according to DFT calculations and X-ray diffraction experiments.

Keyphrases

small molecule
density functional theory
protein protein
oxidative stress
high resolution
molecular dynamics
binding protein
molecular docking
magnetic resonance
contrast enhanced