Discovery of novel small-molecule compounds with selective cytotoxicity for Burkittʼs lymphoma cells using 3D ligand-based virtual screening

Gobec, Martina (avtor), Sosič, Izidor (avtor), Brus, Boris (avtor), Obreza, Aleš (avtor), Gobec, Stanislav (avtor), Mlinarič-Raščan, Irena (avtor)

We describe a ligand-based approach towards compounds with more specific targeting for Burkittʼs lymphoma. Using three-dimensional ligand-based similarity searches and a previously described hit compound, we have identified six compounds that are chemically different but with similar spatial conformations. Biological evaluation revealed that one compound has better growth inhibition and improved selectivity towards Burkittʼs lymphoma cells than the query compound. However, initial mechanism-of-action studies show a different target profile in comparison with the previous hit compound, which does not involve the inhibition of the proteasome or the NFκB pathway. The data from this study provide a solid basis for further efforts in the search for selective agents against Burkittʼs lymphoma.

• Jezik: Angleški jezik
• Ključne besede: Burkittʼs lymphoma, ligand-based, similarity search, selectivity
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FFA - Fakulteta za farmacijo
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2014
• Št. strani: Str. 19209-19219
• Številčenje: Vol. 19, iss. 11
• PID: 20.500.12556/RUL-130508
• UDK: 616-006.44
• ISSN pri članku: 1420-3049
• DOI: 10.3390/molecules191119209
• COBISS.SI-ID: 3776113
• Datum objave v RUL: 15.09.2021

GOBEC, Martina, SOSIČ, Izidor, BRUS, Boris, OBREZA, Aleš, GOBEC, Stanislav in MLINARIČ-RAŠČAN, Irena, 2014, Discovery of novel small-molecule compounds with selective cytotoxicity for Burkittʼs lymphoma cells using 3D ligand-based virtual screening. Molecules [na spletu]. 2014. Vol. 19, no. 11, p. 19209–19219. [Dostopano 4 maj 2025]. DOI 10.3390/molecules191119209. Pridobljeno s: https://repozitorij.uni-lj.si/IzpisGradiva.php?lang=slv&id=130508

Gradivo je del revije

• Naslov: Molecules
• Skrajšan naslov: Molecules
• Založnik: MDPI
• ISSN: 1420-3049
• COBISS.SI-ID: 18462981

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.
• Začetek licenciranja: 19.11.2014

Projekti

• Financer: ARRS - Agencija za raziskovalno dejavnost Republike Slovenije
• Številka projekta: P1-0208
• Naslov: Farmacevtska kemija: načrtovanje, sinteza in vrednotenje učinkovin