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Keywords:

  • alpha-glucosidases;
  • conduramines;
  • hydrogen bonds;
  • molecular modeling;
  • saturation transfer difference NMR spectroscopy
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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).