Supramolecular neuromuscular blocker inhibition by a pillararene through aqueous inclusion of rocuronium bromide
A water-soluble pillararene, decafunctionalized with thioether and carboxylate fragments, was synthesized as a structural analogue of Sugammadex. Its ability to rescue contraction of the diaphragm muscle by encapsulating the muscle relaxant rocuronium bromide was demonstrated. Using UV-vis, NMR and fluorescence spectroscopy, it was shown that the muscle relaxant is associated with the pillararene with association constant of 4500 M-1 and a stoichiometry of 1:1. The structure of the inclusion complex of the pillararene with rocuronium bromide was additionally investigatedby quantum chemical methods.