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Št. zadetkov: 2
Discovery of novel Hsp90 C-terminal inhibitors using 3D-pharmacophores derived from molecular dynamics simulations
Tihomir Tomašić, Martina Durcik, Bradley M. Keegan, Darja Gramec, Živa Zajec, Brian S. J. Blagg, Sharon D. Bryant
Izvirni znanstveni članek
Oznake: zaviralci;molekularna dinamika;zdravljenje raka;virtualno rešetanje;farmakofori;allosteric;cancer;Hsp90;inhibitor;molecular dynamics;pharmacophores;virtual screening;
Hsp90 C-terminal domain (CTD) inhibitors are promising novel agents for cancer treatment, as they do not induce the heat shock response associated with Hsp90 N-terminal inhibitors. One challenge associated with CTD inhibitors is the lack of a co-crystallized complex, requiring the use of predicted a ...
Leto: 2020 Vir: Fakulteta za farmacijo (UL FFA)
Selective DNA gyrase inhibitors
Tihomir Tomašić, Asta Zubrienė, Žiga Skok, Riccardo Martini, Stane Pajk, Izidor Sosič, Janez Ilaš, Daumantas Matulis, Sharon D. Bryant
Izvirni znanstveni članek
Oznake: antibacterial;ATP-competitive;DNA gyrase;Hsp90;pharmacophore model;topoisomerase II[alpha];target activity profiling;
Background: DNA gyrase is an important target for the development of novel antibiotics. Although ATP-competitive DNA gyrase (GyrB) inhibitors are a well-studied class of antibacterial agents, there is currently no representative used in therapy, largely due to unwanted off-target activities. Selecti ...
Leto: 2021 Vir: Fakulteta za farmacijo (UL FFA)
Št. zadetkov: 2
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