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Št. zadetkov: 3
Small-Molecule Galectin Ligands: Structure-Based Optimisation of Affinity and Selectivity
Sjors Van Klaveren, Tihomir Tomašič, Ulf J. Nilsson
Doktorska disertacija
Oznake: Galectins;ligands;inhibitors;drug discovery;molecular dynamics simulations;virtual screening;docking studies;structure-activity relationship;X-ray crystallography.;
In the body, all cell surfaces are covered with glycans, and many regulatory components have carbohydrates attached to them, which can aid in their function. Galectins are a family of proteins which can bind to specific glycans and oligosaccharides and cross-link them to influence a wide range of ce ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
Design and synthesis of novel 3-triazolyl-1-thiogalactosides as galectin-1, -3 and -8 inhibitors
Sjors van Klaveren, Jaka Dernovšek, Žiga Jakopin, Marko Anderluh, Hakon Leffler, Ulf Nilsson, Tihomir Tomašić
Izvirni znanstveni članek
Oznake: β-galaktozid;galektini;raziskava zdravil;diklorotiofenilni analog 59;
Galectins are galactoside-binding proteins that play a role in various pathophysiological conditions, making them attractive targets in drug discovery. We have designed and synthesised a focused library of aromatic 3-triazolyl-1-thiogalactosides targeting their core site for binding of galactose and ...
Leto: 2022 Vir: Fakulteta za farmacijo (UL FFA)
Benzimidazole-galactosides bind selectively to the galectin-8 N-terminal domain
Mujtaba Hassan, Sjors van Klaveren, Maria Håkansson, Carl Diehl, Rebeka Kovačič, Floriane Baussière, Anders Sundin, Jaka Dernovšek, Marko Anderluh, Tihomir Tomašić, Žiga Jakopin
Izvirni znanstveni članek
Oznake: benzimidazole;galectin-8N;quinoline;selectivity;molecular dynamics;x-ray crystallography;
We have obtained the X-ray crystal structure of the galectin-8 N-terminal domain (galectin-8N) with a previously reported quinoline-galactoside ligand at a resolution of 1.6Å. Based on this X-ray structure, a collection of galactosides derivatised at O3 with triazole, benzimidazole, benzothiazole, a ...
Leto: 2021 Vir: Fakulteta za farmacijo (UL FFA)
Št. zadetkov: 3
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