Open AccessDetermining 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
Author(s) -
Hernández Daranas Antonio,
Koteich Khatib Sonia,
Lysek Robert,
Vogel Pierre,
Gavín José A.
Publication year - 2012
Publication title -
chemistryopen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.201100004
Subject(s) - glycosidic bond , chemistry , glucosidases , stereochemistry , nuclear magnetic resonance spectroscopy , monosaccharide , docking (animal) , enzyme , biochemistry , medicine , nursing
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).