• Open Access

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

Authors

  • Dr. Antonio Hernández Daranas,

    Corresponding author
    1. Instituto Universitario de Bio-Orgánica “Antonio González”, University of La Laguna, Av. Fco. Sánchez 2, 38206 La Laguna, Tenerife (Spain)
    • Instituto Universitario de Bio-Orgánica “Antonio González”, University of La Laguna, Av. Fco. Sánchez 2, 38206 La Laguna, Tenerife (Spain)
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  • Sonia Koteich Khatib,

    1. Instituto Universitario de Bio-Orgánica “Antonio González”, University of La Laguna, Av. Fco. Sánchez 2, 38206 La Laguna, Tenerife (Spain)
    2. Department. of Chemistry, Faculty of Sciences, University of los Andes, Campus Universitario “Pedro Rincón Gutiérrez”, 5101 Mérida (Venezuela)
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  • Dr. Robert Lysek,

    1. Laboratory of Glycochemistry and Asymmetric Synthesis, Swiss Federal Institute of Technology (EPFL), Batochime, 1015 Lausanne-Dorigny (Switzerland)
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  • Dr. Pierre Vogel,

    1. Laboratory of Glycochemistry and Asymmetric Synthesis, Swiss Federal Institute of Technology (EPFL), Batochime, 1015 Lausanne-Dorigny (Switzerland)
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  • Dr. José A. Gavín

    Corresponding author
    1. Instituto Universitario de Bio-Orgánica “Antonio González”, University of La Laguna, Av. Fco. Sánchez 2, 38206 La Laguna, Tenerife (Spain)
    • Instituto Universitario de Bio-Orgánica “Antonio González”, University of La Laguna, Av. Fco. Sánchez 2, 38206 La Laguna, Tenerife (Spain)
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Abstract

original image

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).

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