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Wiley Open Access, ChemistryOpen, 1(1), p. 13-16, 2012

DOI: 10.1002/open.201100004

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Determining the Role of the Aromatic Ring of N-Arylmethyl ent-conduramine F-1 in their Interactions with α-Glucosidases by Saturation Transfer Difference NMR Spectroscopy Experiments

Journal article published in 2012 by Antonio Hernández Daranas ORCID, Antonio Hernández Daranas, Sonia Koteich Khatib, Robert Lysek, Pierre Vogel, José A. Gavín
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Saturation transfer difference (STD) NMR spectroscopy was used to study the role of aromatic moieties in the inhibition of α-glucosidases by N-arylmethyl ent-conduramine F-1. STD epitope mapping and molecular docking simulations provide new insights into the structure-based design of drugs targeting this enzyme (see figure).