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A Simple Assay for Quality Binders to Cucurbiturils
Author(s) -
Vázquez Julián,
Remón Patricia,
Dsouza Roy N.,
Lazar Alexandra I.,
Arteaga Jesús F.,
Nau Werner M.,
Pischel Uwe
Publication year - 2014
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201403405
Subject(s) - cucurbituril , adamantane , chemistry , combinatorial chemistry , chromatography , terpene , computer science , computational biology , stereochemistry , organic chemistry , biology , molecule , supramolecular chemistry
A new approach towards the rapid identification of quality binders to cucurbiturils—those that combine high affinity with high selectivity for a particular homologue—was developed. The assay exploits macrocycle‐specific optical fingerprints (colorimetric or fluorimetric) of carefully selected indicators dyes. The screening of a guest library revealed known (e.g., adamantane derivatives) and new (e.g., terpenes) quality binders. The predictive power of the assay was underpinned by the modeling of the involved thermodynamic equilibria.