1. Discovery of substituted oxadiazoles as a novel scaffold for DNA gyrase inhibitorsŽiga Jakopin, Janez Ilaš, Michaela Barančokova, Matjaž Brvar, Päivi Tammela, Marija Sollner Dolenc, Tihomir Tomašič, Danijel Kikelj, 2017, izvirni znanstveni članek Ključne besede: 1, 2, 4-oxadiazoles, DNA gyrase inhibition, topoisomerase IV inhibition, antibacterial screening, computer-aided drug design Celotno besedilo (datoteka, 1,45 MB) Gradivo ima več datotek! Več... |
2. The Eighth Central European Conference "Chemistry towards Biology"András Perczel, Atanas G. Atanasov, Vladimír Sklenář, Jiři Nováček, Veronika Papoušková, Pavel Kadeřávek, Lukáš Žídek, Henryk Kozłowski, Joanna Watły, Aleksandra Hecel, Paulina Kołkowska, Jaroslav Koča, Radka Svobodová-Vařeková, Lukáš Pravda, David Sehnal, Vladimír Horský, Stanislav Geidl, Ricardo D. Enriz, Pavel Matějka, Adéla Jeništová, Marcela Dendisová, Alžběta Kokaislová, Volkmar Weissig, Mark Olsen, Aidan Coffey, Jude Ajuebor, Ruth Keary, Marta Sanz-Gaitero, Mark J. van Raaij, Olivia McAuliffe, Birgit Waltenberger, Andrei Mocan, Karel Šmejkal, Elke H. Heiss, Marc Diederich, Robert Musioł, Janez Košmrlj, Jarosław Polański, Josef Jampílek, 2016, pregledni znanstveni članek Ključne besede: chemistry, biochemistry, biology, pharmacy, drug design, targeting, chemical biology, biological chemistry, proteins and nucleic acids, natural compounds, synthesis, biomaterials, nanoparticles, ADME, drug delivery systems Celotno besedilo (datoteka, 1,10 MB) Gradivo ima več datotek! Več... |
3. 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, izvirni znanstveni članek Ključne besede: 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 Celotno besedilo (datoteka, 6,56 MB) Gradivo ima več datotek! Več... |
4. Predicting drug release rate of implantable matrices and better understanding of the underlying mechanisms through experimental design and artificial neural network-based modellingErnő Benkő, Ilija German Ilić, Katalin Kristó, Géza Regdon, Ildikó Csóka, Klára Pintye-Hódi, Stanko Srčič, Tamás Sovány, 2022, izvirni znanstveni članek Ključne besede: drug–excipient interaction, polymers, non-degradable polymers, matrix tablet, controlled release, design of experiments, artificial neural networks Celotno besedilo (datoteka, 3,15 MB) Gradivo ima več datotek! Več... |
5. Catalytic stereoconvergent synthesis of homochiral β‑CF$_3$, β‑SCF$_3$, and β‑OCF$_3$ benzylic alcoholsAndrej Emanuel Cotman, Pavel A. Dub, Maša Sterle, Matic Lozinšek, Jaka Dernovšek, Živa Zajec, Anamarija Zega, Tihomir Tomašič, Dominique Cahard, 2022, izvirni znanstveni članek Ključne besede: adaptive crystals, asymmetric catalysis, density functional calculations, drug design, fluorine, hydrogenation, kinetic resolution, ruthenium, alcohols, catalysts, crystals, ketones, stereoselectivity Celotno besedilo (datoteka, 2,08 MB) Gradivo ima več datotek! Več... |
6. Strukturno podprto načrtovanje, sinteza in biološko vrednotenje novih zaviralcev O-β-N-acetilglukozaminil transferazeElena Maria Loi, 2023, doktorsko delo/naloga Ključne besede: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stability. Celotno besedilo (datoteka, 20,68 MB) |
7. Strukturno podprto načrtovanje, sinteza in biološko vrednotenje novih zaviralcev O-β-N-acetilglukozaminil transferazeElena Maria Loi, 2023, doktorska disertacija Ključne besede: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational, modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stability Celotno besedilo (datoteka, 20,68 MB) |
8. 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, izvirni znanstveni članek Ključne besede: virtual screening, decoys, chemical library, computer-aided drug design, CCR7, GPCR Celotno besedilo (datoteka, 2,30 MB) Gradivo ima več datotek! Več... |
9. Hydrogen-bonding ability of Noyori–Ikariya catalysts enables stereoselective access to CF$_3$-substituted syn-1,2-diols via dynamic kinetic resolutionMaša Sterle, Matej Huš, Matic Lozinšek, Anamarija Zega, Andrej Emanuel Cotman, 2023, kratki znanstveni prispevek Ključne besede: asymmetric catalysis, DFT, drug design, fluorine, hydrogenation, kinetic resolution, ruthenium, catalysts, ketones, noncovalent interactions, redox reactions, stereoselectivity Celotno besedilo (datoteka, 2,30 MB) Gradivo ima več datotek! Več... |
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