Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Atranorin is a novel potential candidate drug for treating myelodysplastic syndrome. / Semenov, Konstantin N.; Prokopiev, Ilya A.; Petukhova, Natalya V.; Kremenetskaya, Uliana A.; Senichkina, Dina A.; Epifanovskaya, Olga S.; Rumiantsev, Andrei M.; Andoskin, Pavel A.; Rizaev, Jasur A.; Kholmurodova, Dilafruz K.; Ageev, Sergei V.; Anufrikov, Yurii A.; Zakharov, Egor E.; Moiseev, Ivan S.; Sharoyko, Vladimir V.
в: Journal of Molecular Liquids, Том 413, 125743, 01.11.2024.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Atranorin is a novel potential candidate drug for treating myelodysplastic syndrome
AU - Semenov, Konstantin N.
AU - Prokopiev, Ilya A.
AU - Petukhova, Natalya V.
AU - Kremenetskaya, Uliana A.
AU - Senichkina, Dina A.
AU - Epifanovskaya, Olga S.
AU - Rumiantsev, Andrei M.
AU - Andoskin, Pavel A.
AU - Rizaev, Jasur A.
AU - Kholmurodova, Dilafruz K.
AU - Ageev, Sergei V.
AU - Anufrikov, Yurii A.
AU - Zakharov, Egor E.
AU - Moiseev, Ivan S.
AU - Sharoyko, Vladimir V.
PY - 2024/11/1
Y1 - 2024/11/1
N2 - 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.
AB - 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.
KW - Atranorin
KW - Biocompatibility
KW - Cytotoxicity
KW - AKT kinase
KW - Genotoxicity
KW - Atranorin
KW - Biocompatibility
KW - Cytotoxicity
KW - Genotoxicity
KW - AKT kinase
U2 - 10.1016/j.molliq.2024.125743
DO - 10.1016/j.molliq.2024.125743
M3 - Article
VL - 413
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
SN - 0167-7322
M1 - 125743
ER -
ID: 123590383