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Št. zadetkov: 8
Simulation- and AI-directed optimization of 4,6-substituted 1,3,5-triazin-2(1H)-ones as inhibitors of human DNA topoisomerase IIα
Barbara Herlah, Tjaša Goričan, Nika Strašek, Simona Golič Grdadolnik, Izidor Sosič, Andrej Perdih
Izvirni znanstveni članek
Oznake: molecular design;molecular simulations;deep learning;human DNA;topoisomerase IIα;catalytic inhibitors;anticancer agents;
The 4,6-substituted-1,3,5-triazin-2(1H)-ones are promising inhibitors of human DNA topoisomerase IIα. To further develop this chemical class targeting the enzyme´s ATP binding site, the triazin-2(1H)-one substitution position 6 was optimized. Inspired by binding of preclinical substituted 9H-purine ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
Distinct conformational changes occur within the intrinsically unstructured pro-domain of pro-Nerve Growth Factor in the presence of ATP and Mg [sup] 2+
Francesca Paoletti, Sonia Covaceuszach, Alberto Cassetta, Antonio N. Calabrese, Urban Novak, Peter Konarev, Jože Grdadolnik, Doriano Lamba, Simona Golič Grdadolnik
Izvirni znanstveni članek
Oznake: biokemija;apoptoza;NMR spektroskopija;ligandi;
Leto: 2023 Vir: Kemijski inštitut (KI)
Nature-inspired substituted 3-(imidazol-2-yl) morpholines targeting human topoisomerase IIα
Barbara Herlah, Matej Janežič, Iza Ogris, Simona Golič Grdadolnik, Katja Kološa, Sonja Žabkar, Bojana Žegura, Andrej Perdih
Izvirni znanstveni članek
Oznake: topoisomerase II;catalytic inhibitors;chemotherapy;DNA damage;cancer;
The molecular nanomachine, human DNA topoisomerase IIα, plays a crucial role in replication, transcription, and recombination by catalyzing topological changes in the DNA, rendering it an optimal target for cancer chemotherapy. Current clinical topoisomerase II poisons often cause secondary tumors a ...
Leto: 2024 Vir: Kemijski inštitut (KI)
Discovery of new Hsp90–Cdc37 protein–protein interaction inhibitors
Jaka Dernovšek, Nina Gradišek, Živa Zajec, Dunja Urbančič, Jernej Cingl, Tjaša Goričan, Simona Golič Grdadolnik, Tihomir Tomašić
Izvirni znanstveni članek
Oznake: protein 90 (Hsp90);inhibition of protein–protein interaction;virtual screening;ligand-based pharmacophore models;
The interaction between heat shock protein 90 (Hsp90) and Hsp90 co-chaperone cell-division cycle 37 (Cdc37) is crucial for the folding and maturation of several oncogenic proteins, particularly protein kinases. This makes the inhibition of this protein–protein interaction (PPI) an interesting target ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
New class of Hsp90 C-terminal domain inhibitors with anti-tumor properties against triple-negative breast cancer
Živa Zajec, Jaka Dernovšek, Jernej Cingl, Iza Ogris, Marius Gedgaudas, Asta Zubrienė, Ana Mitrović, Simona Golič Grdadolnik, Martina Gobec, Tihomir Tomašić
Izvirni znanstveni članek
Oznake: analize;zaviralci;fenili;rak dojk;
Triple-negative breast cancer (TNBC) remains a treatment challenge and requires innovative therapies. Hsp90, crucial for the stability of numerous oncogenic proteins, has emerged as a promising therapeutic target. In this study, we present the optimization of the Hsp90 C-terminal domain (CTD) inhibi ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
First dual inhibitors of human topoisomerase IIα and Hsp90 C-terminal domain inhibit the growth of Ewing sarcoma in vitro and in vivo
Jaka Dernovšek, Dunja Urbančič, Živa Zajec, Caterina Sturtzel, Tjaša Goričan, Simona Golič Grdadolnik, Žiga Skok, Janez Ilaš, Nace Zidar, Tihomir Tomašić
Izvirni znanstveni članek
Oznake: cancer;Ewing sarcoma;Hsp90;inhibitor;topoisomerase IIα;zebrafish;
Heat shock protein 90 (Hsp90) and topoisomerase IIα (TopoIIα) are members of the GHKL protein superfamily, both with clinically validated roles as anticancer drug targets. We report the discovery of the first class of dual inhibitors targeting the ATP-binding site of TopoIIα and the C-terminal domai ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
Hiding in plain sight
Jaka Dernovšek, Tjaša Goričan, Marius Gedgaudas, Živa Zajec, Dunja Urbančič, Ana Jug, Žiga Skok, Simona Golič Grdadolnik, Janez Ilaš, Nace Zidar, Tihomir Tomašić
Izvirni znanstveni članek
Oznake: cancer;Hsp90;isoform selectivity;topoisomerase II;
Due to their impact on several oncogenic client proteins, the Hsp90 family of chaperones has been widely studied for the development of potential anticancer agents. Although several Hsp90 inhibitors have entered clinical trials, most were unsuccessful because they induced a heat shock response (HSR) ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
Exploration and optimisation of structure-activity relationships of new triazole-based C-terminal Hsp90 inhibitors towards in vivo anticancer potency
Jaka Dernovšek, Živa Zajec, Goran Poje, Dunja Urbančič, Tjaša Goričan, Simona Golič Grdadolnik, Irena Mlinarič-Raščan, Andrej Emanuel Cotman, Nace Zidar, Tihomir Tomašić
Izvirni znanstveni članek
Oznake: cancer;Hsp90;inhibitor;Ewing sarcoma;zebrafish;
The development of new anticancer agents is one of the most urgent topics in drug discovery. Inhibition of molecular chaperone Hsp90 stands out as an approach that affects various oncogenic proteins in different types of cancer. These proteins rely on Hsp90 to obtain their functional structure, and ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
Št. zadetkov: 8
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