Supramolecular neuromuscular blocker inhibition by a pillar[5]arene through aqueous inclusion of rocuronium bromide

Dmitriy Shurpik, Olga Mostovaya, Denis Sevastyanov, Oksana Lenina, Anastasiya Sapunova, Alexandra Voloshina, Konstantin Petrov, Irina Kovyazina, Peter Cragg, Ivan Stoikov

Research output: Contribution to journalArticle

Abstract

A water-soluble pillar[5]arene, decafunctionalized with thioether and carboxylate fragments, was synthesized as a structural analogue of Sugammadex. Its ability to restore the 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 pillar[5]arene with an association constant of 4500 M -1 and a stoichiometry of 1 : 1. The structure of the inclusion complex of the pillar[5]arene with rocuronium bromide was additionally investigated by quantum chemical methods.

Original languageEnglish
Pages (from-to)9951-9959
Number of pages9
JournalOrganic & Biomolecular Chemistry
Volume17
Issue number46
DOIs
Publication statusPublished - 7 Nov 2019

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    Shurpik, D., Mostovaya, O., Sevastyanov, D., Lenina, O., Sapunova, A., Voloshina, A., Petrov, K., Kovyazina, I., Cragg, P., & Stoikov, I. (2019). Supramolecular neuromuscular blocker inhibition by a pillar[5]arene through aqueous inclusion of rocuronium bromide. Organic & Biomolecular Chemistry, 17(46), 9951-9959. https://doi.org/10.1039/C9OB02215E