This work is devoted to the study of biocompatibility, cyto- and genotoxicity, mechanism of action and prospects for the use of atranorin, which is an AKT kinase inhibitor, for the treatment of myelodysplastic syndrome. Atra- norin was isolated by preparative flash chromatography; identification was carried out by UV, IR, and NMR spec- troscopy, mass spectrometry, and elemental analysis. Biocompatibility studies included studies of haemocompat- ibility, genotoxicity, antioxidant activity, cytotoxicity against ECV340 and HEK293 cell lines. Computer model- ling of the interaction of atranorin with AKT kinase was carried out using docking followed by molecular dynam- ics of the resulting complexes; the ADMET properties of atranorin were also calculated. Flow cytometry included analysis of the expression level of PD-L1 and TIM-3 in the presence of atranorin on THP-1, Mono-Mac-1 and KG-1 cell lines, as well as human bone marrow cells.
Translated title of the contributionАтранорин как новая потенциальная субстанция для лечения миелодиспластического синдрома
Original languageEnglish
Article number125743
Number of pages16
JournalJournal of Molecular Liquids
Volume413
Early online date1 Aug 2024
DOIs
StateE-pub ahead of print - 1 Aug 2024

    Research areas

  • Atranorin, Biocompatibility, Cytotoxicity, Genotoxicity, AKT kinase

ID: 123590383