Non-psychotropic cannabinoids as inhibitors of TET1 protein

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Publikace nespadá pod Ústav výpočetní techniky, ale pod Lékařskou fakultu. Oficiální stránka publikace je na webu muni.cz.
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ANTONYOVÁ Veronika KEJÍK Zdeněk BROGYANYI Tereza KAPLÁNEK Robert VESELÁ Kateřina ABRAMENKO Nikita OCELKA Tomáš MASAŘÍK Michal MATKOWSKI Adam GBUREK Jakub ABEL Renata GOEDE Andrean PREISSNER Robert NOVOTNÝ Petr JAKUBEK Milan

Rok publikování 2022
Druh Článek v odborném periodiku
Časopis / Zdroj Bioorganic Chemistry
Fakulta / Pracoviště MU

Lékařská fakulta

Citace
www https://www.sciencedirect.com/science/article/pii/S0045206822001985
Doi http://dx.doi.org/10.1016/j.bioorg.2022.105793
Klíčová slova Cannabinoids; TET1 protein; Iron chelation; DNA methylation; Epigenetic
Popis Non-psychotropic cannabinoids (e.g., cannabidiol, cannabinol and cannabigerol) are contained in numerous alimentary and medicinal products. Therefore, predicting and studying their possible side effects, such as changes in DNA methylation, is an important task for assessing the safety of these products. Interference with TET enzymes by chelating ferrous ions can contribute to the altered methylation pattern. All tested cannabinoids displayed a strong affinity for Fe(II) ions. Cannabidiol and cannabinol exhibited potent inhibitory activities (IC50 = 4.8 and 6.27 µM, respectively) towards the TET1 protein, whereas cannabigerol had no effect on the enzyme activity. An in silico molecular docking study revealed marked binding potential within the catalytic cavity for CBD/CBN, but some affinity was also found for CBG, thus the total lack of activity remains unexplained. These results imply that cannabinoids could affect the activity of the TET1 protein not only due to their affinity for Fe(II) but also due to other types of interactions (e.g., hydrophobic interactions and hydrogen bonding).
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