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
- 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
