1. Računalniško podprto načrtovanje in sinteza novih zaviralcev napetostno odvisnih kalijevih kanalov hEAG1 s protitumornim delovanjemŽan Toplak, 2021, doctoral dissertation Keywords: farmakoforni model, hEAG1, hERG, ionski kanal, inhibitorji, KV10.1, molekulska dinamika, načrtovanje, protirakave učinkovine, rak, sinteza, tarča, virtualno rešetanje Full text (file, 16,21 MB) |
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3. 3D pharmacophore-based discovery of novel Kv10.1 inhibitors with antiproliferative activityŽan Toplak, Louise Antonia Hendrickx, Špela Gubič, Štefan Možina, Bojana Žegura, Alja Štern, Matjaž Novak, Xiaoyi Shi, Steve Peigneur, Jan Tytgat, Tihomir Tomašič, Luis A. Pardo, Lucija Peterlin-Mašič, 2021, original scientific article Keywords: K$_V$10.1, ion channels, hERG, pharmacophore modelling, virtual screening, antiproliferative activity Full text (file, 14,79 MB) This document has more files! More... |
4. Molecular dynamics-derived pharmacophore model explaining the nonselective aspect of K$_V$10.1 pore blockersŽan Toplak, Franci Merzel, Luis A. Pardo, Lucija Peterlin-Mašič, Tihomir Tomašič, 2021, original scientific article Keywords: cancer, Eag1, hERG, K$_V$10.1 inhibitors, molecular dynamics, pharmacophore Full text (file, 10,02 MB) This document has more files! More... |
5. New diarylamine KV10.1 inhibitors and their anticancer potentialŠpela Gubič, Žan Toplak, Xiaoyi Shi, Jaka Dernovšek, Louise Antonia Hendrickx, Ernesto Lopes Pinheiro-Junior, Steve Peigneur, Jan Tytgat, Luis A. Pardo, Lucija Peterlin-Mašič, Tihomir Tomašič, 2022, original scientific article Keywords: KV10.1, ion channels, hERG, SAR, antiproliferative activity Full text (file, 869,51 KB) This document has more files! More... |
6. Amide containing NBTI antibacterials with reduced hERG inhibition, retained antimicrobial activity against gram-positive bacteria and in vivo efficacyMaja Kokot, Matjaž Weiss, Irena Zdovc, Lidija Senerovic, Natasa Radakovic, Marko Anderluh, Nikola Minovski, Martina Hrast, 2023, original scientific article Keywords: NBTIs, DNA gyrase, topoisomerase IV, antibacterials, MRSA, hERG inhibition, in vivo efficacy Full text (file, 3,61 MB) This document has more files! More... |
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9. Strukturno podprto načrtovanje in optimizacija novih zaviralcev bakterijskih topoizomeraz tipa II z zmanjšanim kardiotoksičnim potencialomMaja Kokot, 2024, doctoral dissertation Keywords: Bakterijske topoizomeraze tipa II, DNA giraza, topoizomeraza IV, NBTI, protibakterijsko delovanje, hERG, multidimenzionalni QSAR, in vivo učinkovitost, razcepljene haloge vezi Full text (file, 24,61 MB) |