1. Prioritisation of compounds for 3CL$^{pro}$ inhibitor development on SARS-CoV-2 variantsMarko Jukič, Blaž Škrlj, Gašper Tomšič, Sebastian Pleško, Črtomir Podlipnik, Urban Bren, 2021, original scientific article Keywords: COVID-19, SARS-CoV-2, free-energy calculations, in silico drug design, virtual screening, inhibitors, 3C-like protease, M$^{pro}$, 3CL$^{pro}$, high-throughput, chemical library design, machine learning, compound prioritisation Full text (file, 6,56 MB) This document has more files! More... |
2. Methylation of selenocysteine catalysed by thiopurine S-methyltransferaseDunja Urbančič, Anita Kotar, Alenka Šmid, Marko Jukič, Stanislav Gobec, Lars Martensson, Janez Plavec, Irena Mlinarič-Raščan, 2019, original scientific article Keywords: binding analysis, enzymatic methylation, NMR spectroscopy, S-adenosylmethionine, selenocysteine, thiopurine S-methyltransferase Full text (file, 1,48 MB) This document has more files! More... |
3. A set of experimentally validated decoys for the human CC chemokine receptor 7 (CCR7) obtained by virtual screeningMatic Proj, Steven De Jonghe, Tom Van Loy, Marko Jukič, Anže Meden, Luka Ciber, Črtomir Podlipnik, Uroš Grošelj, Janez Konc, Dominique Schols, Stanislav Gobec, 2022, original scientific article Keywords: virtual screening, decoys, chemical library, computer-aided drug design, CCR7, GPCR Full text (file, 2,30 MB) This document has more files! More... |
4. Uporaba naravnih spojin vodnic ter in silico podprto rešetanje kemijskih knjižnic pri načrtovanju in sintezi novih protibakterijskih učinkovin in modulatorjev ionskih kanalčkovMarko Jukič, 2016, doctoral dissertation Keywords: protibakterijske učinkovine, ionski kanalčki, napetostno odvisni natrijevi kanalčki, modulatorji, načrtovanje, sinteza, naravne spojine vodnice, kemijske knjižnice, rešetanje, morske spužve, Agelas, sekundarni metaboliti, oroidin, klatrodin, biološka aktivnost, vrednotenje, metoda vpete krpice membrane, disertacije Full text (file, 37,88 MB) |
5. New inhibitors of cathepsin V impair tumor cell proliferation and elastin degradation and increase immune cell cytotoxicityAna Mitrović, Emanuela Senjor, Marko Jukič, Lara Bolčina, Mateja Prunk, Matic Proj, Milica Perišić, Stanislav Gobec, Janko Kos, 2022, original scientific article Keywords: cathepsin V, small-molecule inhibitors, antitumor therapy, cancer, cystatin F Full text (file, 3,84 MB) This document has more files! More... |
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9. Anthranilic acid inhibitors of undecaprenyl pyrophosphate synthase (UppS), an essential enzyme for bacterial cell wall biosynthesisMarko Jukič, Kaja Rožman, Matej Sova, Hélène Barreteau, Stanislav Gobec, 2019, original scientific article Keywords: UppS, inhibitors, cell-wall, pharmacophore model, antibacterial agents, undecaprenyl pyrophosphate synthase Full text (file, 4,42 MB) This document has more files! More... |
10. Inhibition of the SARS-CoV-2 3CL$^{pro}$ main protease by plant polyphenolsMiha Bahun, Marko Jukič, Domen Oblak, Luka Kranjc, Gregor Bajc, Matej Butala, Krištof Bozovičar, Tomaž Bratkovič, Črtomir Podlipnik, Nataša Poklar Ulrih, 2022, original scientific article Keywords: edible plants, polyphenols, COVID-19, SARS-CoV-2, 3CL$^{pro}$, protease inhibitor Full text (file, 2,14 MB) This document has more files! More... |