Discovery of novel small-molecule compounds with selective cytotoxicity for Burkittʼs lymphoma cells using 3D ligand-based virtual screeningGobec, Martina (Avtor) Sosič, Izidor (Avtor) Brus, Boris (Avtor) Obreza, Aleš (Avtor) Gobec, Stanislav (Avtor) Mlinarič-Raščan, Irena (Avtor) Burkittʼs lymphomaligand-basedsimilarity searchselectivityWe 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.20142021-09-15 16:24:48Članek v reviji130508sl