1. 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, izvirni znanstveni članek Ključne besede: NBTIs, DNA gyrase, topoisomerase IV, antibacterials, MRSA, hERG inhibition, in vivo efficacy
Celotno besedilo (datoteka, 3,61 MB) Gradivo ima več datotek! Več... |
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3. Uporaba kemoinformatičnih in strukturno podprtih in silico metod za načrtovanje zaviralcev bakterijske DNA giraze ter modulatorjev kemokinskih receptorjev CXCR3 in CXCR4Anja Kolarič, 2020, doktorska disertacija Ključne besede: bakterijska rezistenca, farmacevtska kemija, encimi DNA topoizomeraze, zaviralci bakterijske giraze, kemokinski receptorji, alosteričen učinek, sinteza CXCR3, sinteza CXCR4
Celotno besedilo (datoteka, 2,23 MB) |
4. Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bondsAnja Kolarič, Thomas Germe, Martina Hrast, Clare E. M. Stevenson, David M. Lawson, Nicolas P. Burton, Judit Vörös, Anthony Maxwell, Nikola Minovski, Marko Anderluh, 2021, izvirni znanstveni članek Ključne besede: antibacterials, DNA gyrase inhibitors, drug discovery, Staphylococcus aureus, intercalators, novel bacterial topoisomerase inhibitors, NBTIs, symmetrical bifurcated halogen bonds, crystal structure, novel NBTIs mechanism of action, antimicrobials, DNA-binding proteins, drug development, X-ray crystallography
Celotno besedilo (datoteka, 2,00 MB) Gradivo ima več datotek! Več... |
5. A fine-tuned lipophilicity/hydrophilicity ratio governs antibacterial potency and selectivity of bifurcated halogen bond-forming NBTIsAnja Kolarič, Maja Kokot, Martina Hrast, Matjaž Weiss, Irena Zdovc, Jurij Trontelj, Simon Žakelj, Marko Anderluh, Nikola Minovski, 2021, izvirni znanstveni članek Ključne besede: antibacterials, drug discovery, DNA gyrase inhibitors, topoisomerase IV inhibitors, intercalators, novel bacterial topoisomerase inhibitors, topoisomerase II inhibitors, intercalating agents
Celotno besedilo (datoteka, 6,80 MB) Gradivo ima več datotek! Več... |
6. The structural features of novel bacterial topoisomerase inhibitors that define their activity on topoisomerase IVMaja Kokot, Marko Anderluh, Martina Hrast, Nikola Minovski, 2022, pregledni znanstveni članek Ključne besede: genetics, inhibition, bacteria, phenyls
Celotno besedilo (datoteka, 5,07 MB) Gradivo ima več datotek! Več... |
7. Structurally optimized potent dual-targeting NBTI antibacterials with an enhanced bifurcated halogen-bonding propensityMaja Kokot, Matjaž Weiss, Irena Zdovc, Martina Hrast, Marko Anderluh, Nikola Minovski, 2021, izvirni znanstveni članek Ključne besede: NBTIs, DNA gyrase, topoisomerase IV, bifurcated halogen bonds, dual targeting
Celotno besedilo (datoteka, 2,92 MB) Gradivo ima več datotek! Več... |
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9. Exploring alternative pathways to target bacterial type II topoisomerases using NBTI antibacterials: beyond halogen-bonding interactionsMaja Kokot, Doroteja Novak, Irena Zdovc, Marko Anderluh, Martina Hrast, Nikola Minovski, 2023, izvirni znanstveni članek Ključne besede: DNA gyrase, topoisomerase IV, antibacterial, NBTIs, halogen-bonding interactions, hydrogen-bonding interactions, van der Waals interactions
Celotno besedilo (datoteka, 3,33 MB) Gradivo ima več datotek! Več... |
10. Dynamic profiling and binding affinity prediction of NBTI antibacterials against DNA gyrase enzyme by multidimensional machine learning and molecular dynamics simulationsMaja Kokot, Nikola Minovski, 2024, izvirni znanstveni članek Ključne besede: bacteria, genetics, ligands, peptides, proteins, screening assays
Celotno besedilo (datoteka, 12,70 MB) Gradivo ima več datotek! Več... |
