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 journalArticlepeer-review

    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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