NMR investigation of a high-affinity ruthenium-based galectin-1 inhibitor

0575606 - ÚCHP 2024 CZ eng A - Abstract
Kurfiřt, Martin - Hamala, Vojtěch - Ardá, A. - Jiménez-Barbero, J. - Karban, Jindřich
NMR investigation of a high-affinity ruthenium-based galectin-1 inhibitor.
Abstracts Posters. Prague: NMR Spectroscopy Research Service Group, 2023. s. 36, č. článku P23..
[The Central European NMR Symposium & Bruker Users Meeting CEUM 20232023. 13.09.2023-15.09.2023, Prague]
Institutional support: RVO:67985858
Keywords : galectin-1 * ruthenium complexes * NMR-spectroscopy
OECD category: Analytical chemistry

This work focuses on the QM-assisted NMR investigation of a novel N-acetyllactosamine-based piano stool ruthenium complex, which showed promising selectivity to human galectin-1 over galectin-3. To decipher the structural basis of molecular recognition, we studied this process by established NMR methods such as 1H-1H transferred NOESY, 1H-1H saturation transfer difference, or 1H-15N chemical shift perturbation. The investigation provided a reasonable explanation for the selectivity with implications for galectin-focused medici nal chemistry.
Permanent Link: https://hdl.handle.net/11104/0345359