Strukturno-podprto načrtovanje in vrednotenje spojin s potencialnim imunomodulatornim in nevroprotektivnim delovanjem

Autor: Brus, Boris

Pomembnost računalniških metod v farmacevtski kemiji narašča, medtem ko je virtualno rešetanje postalo sestavni del procesa odkrivanja novih spojin zadetkov na različnih terapevtskih tarčah. Knjižnica spojin predstavlja izhodišče za izvedbo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3505::13c6c18212ffa3bded5fe1e930a0db9d
https://repozitorij.uni-lj.si/Dokument.php?id=165634&dn=

Benzimidazole-galactosides bind selectively to the galectin-8 N-terminal domain

Autor: Hassan, Mujtaba, van Klaveren, Sjors, Håkansson, Maria, Diehl, Carl, Kovačič, Rebeka, Baussière, Floriane, Sundin, Anders, Dernovšek, Jaka, Anderluh, Marko, Tomašič, Tihomir, Jakopin, Žiga

Publikováno v: European journal of medicinal chemistry, vol. 113664, no. 223, pp. 1-13, 2021.

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 a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3505::cbfc18d4526c5dc3da88f29db1a87aeb
https://hdl.handle.net/20.500.12556/RUL-141507

Design and synthesis of novel 3-triazolyl-1-thiogalactosides as galectin-1, -3 and -8 inhibitors

Autor: Sjors van Klaveren, Jaka Dernovšek, Žiga Jakopin, Marko Anderluh, Hakon Leffler, Ulf J. Nilsson, Tihomir Tomašič

Publikováno v: RSC advances, vol. 12, no. 29, pp. 18973-18984, 2022.
RSC advances, str. 18973-18984 : Ilustr., Vol. 12, iss. 29, 2022
COBISS-ID: 2513252

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 targ

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https://repozitorij.uni-lj.si/IzpisGradiva.php?id=137879

Discovery of a New Drug-like Series of OGT Inhibitors by Virtual Screening

Autor: Loi, Elena M, Tomašič, Tihomir, Balsollier, Cyril, van Eekelen, Kevin, Weiss, Matjaž, Gobec, Martina, Alteen, Matthew G, Vocadlo, David J, Pieters, Roland J, Anderluh, Marko, Afd Chemical Biology and Drug Discovery, Chemical Biology and Drug Discovery

Publikováno v: Molecules
Molecules, str. 1-21 : Tabele, Vol. 27, iss. 6, 2022
COBISS-ID: 18462981
Molecules, vol. 27, no. 6, art 1996, 2022.
Molecules (Basel, Switzerland), 27(6), 1. Multidisciplinary Digital Publishing Institute (MDPI)
Molecules; Volume 27; Issue 6; Pages: 1996

O-GlcNAcylation is an essential post-translational modification installed by the enzyme O-β-N-acetyl-d-glucosaminyl transferase (OGT). Modulating this enzyme would be extremely valuable to better understand its role in the development of serious hum

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ea2d0cb7c7a8b9159d2d0f2d85ac78d
https://dspace.library.uu.nl/handle/1874/422228

A Fine-Tuned Lipophilicity/Hydrophilicity Ratio Governs Antibacterial Potency and Selectivity of Bifurcated Halogen Bond-Forming NBTIs

Autor: Irena Zdovc, Matjaž Weiss, Marko Anderluh, Anja Kolarič, Simon Žakelj, Martina Hrast, Jurij Trontelj, Maja Kokot, Nikola Minovski

Publikováno v: Antibiotics
Volume 10
Issue 7
Antibiotics, 30 str. : Ilustr., tabele, Vol. 10, no. 7, art. 862, 2021
COBISS-ID: 522975769
Antibiotics, Vol 10, Iss 862, p 862 (2021)
Antibiotics, vol. 10, no. 7, 862, 2021.

Herein, we report the design of a focused library of novel bacterial topoisomerase inhibitors (NBTIs) based on innovative mainly monocyclic right-hand side fragments active against DNA gyrase and Topo IV. They exhibit a very potent and wide range of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d8632f7f4df71c8f22b3f78dfee3d476