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Št. zadetkov: 2
Discovery of immunoproteasome inhibitors using large-scale covalent virtual screening
Andrea Scarpino, Dávid Bajusz, Matic Proj, Martina Gobec, Izidor Sosič, Stanislav Gobec, György G. Ferenczy, György Keserü M.
Izvirni znanstveni članek
Oznake: immunoproteasome;covalent inhibitor;virtual screening;beta5i selective inhibitor;
Large-scale virtual screening of boronic acid derivatives was performed to identify nonpeptidic covalent inhibitors of the %5i subunit of the immunoproteasome. A hierarchical virtual screening cascade including noncovalent and covalent docking steps was applied to a virtual library of over 104,000 c ...
Leto: 2019 Vir: Fakulteta za farmacijo (UL FFA)
Next-generation heterocyclic electrophiles as small-molecule covalent MurA inhibitors
Péter Ábrányi-Balogh, Aaron Keeley, György G. Ferenczy, László Petri, Tímea Imre, Katarina Grabrijan, Martina Hrast, Damijan Knez, Janez Ilaš, Stanislav Gobec, György Keserü M.
Izvirni znanstveni članek
Oznake: kovalentni inhibitor;heterociklični elektrofili;označevanje cisteina;kvaternizacija;MurA;covalent inhibitor;heterocyclic electrophiles;cysteine labelling;quaternization;
Heterocyclic electrophiles as small covalent fragments showed promising inhibitory activity on the antibacterial target MurA (UDP-N-acetylglucosamine 1-carboxyvinyltransferase, EC:2.5.1.7). Here, we report the second generation of heterocyclic electrophiles: the quaternized analogue of the heterocyc ...
Leto: 2022 Vir: Fakulteta za farmacijo (UL FFA)
Št. zadetkov: 2
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