Cucurbit[7]uril-driven modulation of ligand-DNA interactions by ternary assembly

Chernikova, E.Y.; Ruleva, A.Y.; Tsvetkov, V.B.; Fedorov, Y.V.; Novikov, V.V.; Aliyeu, T.M.; Pavlov, A.A.; Shepel, N.; Fedorova, O.

Авторы: Chernikova Ekaterina Y., Ruleva Anna Yu, Tsvetkov Vladimir Borisovich, Fedorov Yury V., Novikov Valentin V., Aliyeu Tseimur M., Pavlov Alexander A., Shepel Nikolai, Fedorova Olga
Журнал: Organic and Biomolecular Chemistry
Год издания: 2020
Издательство: Royal Society of Chemistry
Местоположение издательства: United Kingdom
DOI: 10.1039/C9OB02543J
Аннотация: The design of small organic molecules with predictable and desirable DNA-binding mechanism is a topical research task for biomedicine application. Herein, we demonstrated an attractive supramolecular strategy for controlling the non-covalent ligand-DNA interaction by binding with cucurbituril as a synthetic receptor. With a combination of UV/vis, CD and NMR experiments, we demonstrated that bis-styryl dye with suitable two binding sites can involve double stranded DNA and cucurbituril in the formation of the supramolecular triad. The ternary assembly is formed as a result of the interaction of macrocyclic cucurbituril with one pyridinium fragment of a bis-styryl dye, while the second pyridinium fragment of the dye is effectively associated with DNA backbones, which leads to a change in the ligand-DNA binding mode from aggregation to a minor groove. This exciting outcome was supported by molecular docking studies that help understand the molecular orientation of the supramolecular triad and elucidate the destruction of dye aggregates caused by cucurbituril. These studies provide valuable information on the mechanisms of DNA binding to small molecules and recognition processes in bioorganic supramolecular assemblies constructed from multiple non-covalent interactions.
Добавил в систему: Алиев Теймур Мовланович

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Cucurbit[7]uril-driven modulation of ligand-DNA interactions by ternary assemblyстатья

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