Synthesis, α-mannosidase inhibition studies and molecular modeling of 1,4-imino-ᴅ-lyxitols and their C-5-altered N-arylalkyl derivatives

Martin Kalník, Sergej Šesták, Juraj Kóňa, Maroš Bella and Monika Poláková
Beilstein J. Org. Chem. 2023, 19, 282–293. https://doi.org/10.3762/bjoc.19.24

Supporting Information

Supporting Information File 1: Experimental (synthesis, enzyme assay, molecular modelling).
Format: PDF Size: 997.5 KB Download
Supporting Information File 2: Copies of NMR spectra.
Format: PDF Size: 1.8 MB Download
Supporting Information File 3: Optimized QM/MM complexes (inhibitor:enzyme).
Format: MAE Size: 20.8 MB Download

Cite the Following Article

Synthesis, α-mannosidase inhibition studies and molecular modeling of 1,4-imino-ᴅ-lyxitols and their C-5-altered N-arylalkyl derivatives
Martin Kalník, Sergej Šesták, Juraj Kóňa, Maroš Bella and Monika Poláková
Beilstein J. Org. Chem. 2023, 19, 282–293. https://doi.org/10.3762/bjoc.19.24

How to Cite

Kalník, M.; Šesták, S.; Kóňa, J.; Bella, M.; Poláková, M. Beilstein J. Org. Chem. 2023, 19, 282–293. doi:10.3762/bjoc.19.24

Download Citation

Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window below.
Citation data in RIS format can be imported by all major citation management software, including EndNote, ProCite, RefWorks, and Zotero.

Presentation Graphic

Picture with graphical abstract, title and authors for social media postings and presentations.
Format: PNG Size: 9.9 MB Download

Citations to This Article

Up to 20 of the most recent references are displayed here.

Scholarly Works

  • Ju, D.; Kang, J.; Song, Z. Enantioselective Intramolecular Oxidative Aminoacetoxylation from Aryl-Substituted Alkene via Chiral Triazole-oxazoline Palladium Complexes. Organic letters 2024, 26, 9637–9642. doi:10.1021/acs.orglett.4c03248
  • Koemans, T.; Bennett, M.; Ferraz, M. J.; Armstrong, Z.; Artola, M.; Aerts, J. M. F. G.; Codée, J. D. C.; Overkleeft, H. S.; Davies, G. J. Structure-guided design of C3-branched swainsonine as potent and selective human Golgi α-mannosidase (GMII) inhibitor. Chemical communications (Cambridge, England) 2024, 60, 11734–11737. doi:10.1039/d4cc04514a
  • Kalník, M.; Gabko, P.; Kóňa, J.; Šesták, S.; Moncoľ, J.; Bella, M. (5S)-5-Benzylswainsonines as potent and selective inhibitors of Golgi α-mannosidase II: synthesis, enzyme evaluation and molecular modelling. Bioorganic chemistry 2024, 150, 107578. doi:10.1016/j.bioorg.2024.107578
  • Kóňa, J. Comparative study of interaction energies between αIIbβ3 integrin and the peptidic, peptidomimetic and non-peptidic ligands by quantum mechanics FMO-PIEDA calculations. Chemical Papers 2023, 77, 5913–5930. doi:10.1007/s11696-023-02910-4
  • Drogalin, A.; Monteiro, L. S.; Alves, M. J.; Castro, T. G. Golgi α-mannosidase: opposing structures of Drosophila melanogaster and novel human model using molecular dynamics simulations and docking at different pHs. Journal of biomolecular structure & dynamics 2023, 42, 2714–2725. doi:10.1080/07391102.2023.2209184
Other Beilstein-Institut Open Science Activities