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1 article(s) from Kóňa, Juraj

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, doi:10.3762/bjoc.19.24

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Figure 1: Natural iminosugars (1,4-dideoxy-1,4-imino-ᴅ-mannitol (DIM) and swainsonine) and selected examples ...

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Scheme 1: Synthesis of the key pyrrolidine 3 and the target pyrrolidines 7–10. Reagents and conditions: (a) M...

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Scheme 2: Synthesis of the intermediate 13 and the target pyrrolidines 17–20. Reagents and conditions: (a) 1....

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Scheme 3: Synthesis of the target pyrrolidines 26–29. Reagents and conditions: (a) Tf₂O, pyridine, CH₂Cl₂, 0 ...

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Figure 2: Superposition of the inhibitor 29 (green), docked into dGMII, with X-ray complexes of swainsonine (...

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Figure 3: FMO-PIEDA total pair interaction energies (ΔE_linker-E) (in kcal mol⁻¹) between the structural moiet...

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Figure 4: QM/MM optimized complexes 28:dGMII (top) and 31:dGMII (bottom) [22]. N-2-naphthylmethyl group (grey) an...

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Figure 5: FMO-PIEDA total pair interaction energies (ΔE_linker-E) (in kcal mol⁻¹) between the N-2-naphthylmeth...

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Published 06 Mar 2023

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