Реферат: The new catalytic aldol transformation has been found: the reaction of isatins and kojic acid in ethanol in the presence of basic catalysts results in the formation of the new pharmacologically important substituted 3-hydroxy-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl] indolin-2-ones in 60%–90% yields. The optimized reaction conditions and a mechanistic rationale for this catalytic aldol transformation are presented. This new catalytic process is a facile and efficient way to compounds containing both 3-hydroxyindolin-2-one and 5-hydroxy-2-hydroxymethyl-4H-pyran-4-one fragments, which are promising compounds for different biomedical applications, among them anticonvulsant, anticancer, anti-AIDS agents, and antiinflammatory remedies. All synthesized compounds were investigated using a molecular docking procedure. The investigation showed that these compounds are prone to occupy the binding site in pyruvate dehydrogenase kinase (PDK) inhibiting the binding of adenosine triphosphate. It makes them promising ligands for the investigations in the treatment of PDK-related diseases such as heart failure, diabetes, and cancers of certain types.

Библиографическая ссылка: Elinson M.N. , Ryzhkova Y.E. , Ryzhkov F.V. , Fakhrutdinov A.N.
Kojic acid aldol adduct with isatin as inhibitors of pyruvate dehydrogenase kinase
Journal of Heterocyclic Chemistry. 2021. V.59. N4. P.760-770. DOI: 10.1002/jhet.4419 WOS Scopus OpenAlex

Идентификаторы БД:

≡ Web of science:	WOS:000734098900001
≡ Scopus:	2-s2.0-85121429888
≡ OpenAlex:	W4200277867

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