1. Simulation- and AI-directed optimization of 4,6-substituted 1,3,5-triazin-2(1H)-ones as inhibitors of human DNA topoisomerase IIαBarbara Herlah, Tjaša Goričan, Nika Strašek Benedik, Simona Golič Grdadolnik, Izidor Sosič, Andrej Perdih, 2024, izvirni znanstveni članek Ključne besede: molecular design, molecular simulations, deep learning, human DNA, topoisomerase IIα, catalytic inhibitors, anticancer agents Celotno besedilo (datoteka, 10,65 MB) Gradivo ima več datotek! Več... |
2. 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... |
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4. ATP-competitive inhibitors of human DNA topoisomerase IIα with improved antiproliferative activity based on N-phenylpyrrolamide scaffoldŽiga Skok, Martina Durcik, Živa Zajec, Darja Gramec, Krištof Bozovičar, Anja Pišlar, Tihomir Tomašič, Anamarija Zega, Lucija Peterlin-Mašič, Danijel Kikelj, Nace Zidar, Janez Ilaš, 2023, izvirni znanstveni članek Ključne besede: anticancer drugs, ATP-competitive inhibitors, catalytic inhibitor, cytotoxicity, human DNA topoisomerase II Celotno besedilo (datoteka, 2,83 MB) Gradivo ima več datotek! Več... |
5. 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... |
6. Enhancing antibacterial efficacyMaša Zorman, Maja Kokot, Irena Zdovc, Lidija Šenerović, Mina Mandic, Nace Zidar, Andrej Emanuel Cotman, Martina Durcik, Lucija Peterlin-Mašič, Nikola Minovski, Marko Anderluh, Martina Hrast, 2024, izvirni znanstveni članek Ključne besede: topoisomerase inhibitors, NBTIs, efflux pump inhibitors, ESKAPE pathogens, antimicrobial resistance, bacterial biofilms Celotno besedilo (datoteka, 1,59 MB) Gradivo ima več datotek! Več... |
7. High-performance liquid chromatography evaluation of lipophilicity and QSRR modeling of a series of dual DNA gyrase and topoisomerase IV inhibitorsVladimir Dobričić, Jelena Savić, Tihomir Tomašič, Martina Durcik, Nace Zidar, Lucija Peterlin-Mašič, Janez Ilaš, Danijel Kikelj, Olivera Čudina, 2024, izvirni znanstveni članek Ključne besede: RP-HPLC, DNA gyrase and topoisomerase IV inhibitors, lipophilicity prediction, PLS, MLR models, SVM models Celotno besedilo (datoteka, 734,22 KB) Gradivo ima več datotek! Več... |
8. Nature-inspired substituted 3-(imidazol-2-yl) morpholines targeting human topoisomerase IIαBarbara Herlah, Matej Janežič, Iza Ogris, Simona Golič Grdadolnik, Katja Kološa, Sonja Žabkar, Bojana Žegura, Andrej Perdih, 2024, izvirni znanstveni članek Ključne besede: topoisomerase II, catalytic inhibitors, chemotherapy, DNA damage, cancer Celotno besedilo (datoteka, 7,99 MB) Gradivo ima več datotek! Več... |