1. Intermolecular interactions, regioselectivity, and biological activity of L-ascorbic acid, nicotinic acid and their cocrystal.
- Author
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Evtushenko, Diana N., Fateev, Alexander V., Khainovsky, Mark A., Polishchuk, Julia, Kokorev, Oleg V., Nasibov, Temur F., Gorokhova, Anna V., Bariev, Usman A., Zaitsev, Konstantin V., Khlusov, Igor A., and Vodyankina, Olga V.
- Subjects
EMBRYONIC stem cells ,MESENCHYMAL stem cells ,INTERMOLECULAR interactions ,CYTOTOXINS ,HYDROGEN bonding - Abstract
The systems of intermolecular interactions, including hydrogen bonds, in the crystal structures of the cocrystal of L -ascorbic (L -Asc) and nicotinic (Nic) acids and individual coformers are considered, and the hemolytic and cytotoxic activities of these compounds are studied in vitro. The influence of conformational differences of L -Asc molecules (total effective charge) on the formation of a network of H-bonds in the supramolecular structure of pristine L -Asc is revealed. Calculation of regioselectivity descriptors shows that the conformer of the L -Asc molecule in the L -AscNic cocrystal has higher activity compared to conformer molecules of the pristine L -Asc. No hemolysis caused by the solutions of tested acids and L -AscNic is shown. Selective cytotoxicity (antimetabolic effect according to the MTT test) of solutions of L -AscNic cocrystals against a 72-hour culture of MCF-7 breast cancer cell line versus healthy cells (mesenchymal stem cells and embryonic fibroblasts) is revealed. The possible relationship between the initial conformational state of the L -Asc molecules in the composition/structure of the studied solid compounds and the biological activity of solutions of these compounds requires further studies. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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