20.500.12556/RUL-130508 Discovery of novel small-molecule compounds with selective cytotoxicity for Burkittʼs lymphoma cells using 3D ligand-based virtual screening 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. Burkittʼs lymphoma ligand-based similarity search selectivity true false true Angleški jezik Ni določen Članek v reviji 2021-09-15 16:24:48 2021-09-15 16:24:50 2022-09-09 04:16:46 0000-00-00 00:00:00 2014 0 0 Str. 19209-19219 iss. 11 Vol. 19 2014 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 616-006.44 1420-3049 10.3390/molecules191119209 3776113 RAZ_Gobec_Martina_2014.pdf RAZ_Gobec_Martina_2014.pdf 1 1B79D8D608323120273D3201B07DB663 2daef7ba31902b0b0c70b161b3b4d1293fa3d759f171af634acf52eb15d6897e a6fcd109-1630-11ec-a523-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=147632 http://www.mdpi.com/1420-3049/19/11/19209 1 6e7a8255-1630-11ec-a523-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=147631 Fakulteta za farmacijo 0 0 0