Synhesis, anti-inflammatory and analgesic activity of the supramolecular complex of 3-EPI-2-deoxyecdysone and prospects for its medical application
Tuleuov B. Abulyaissova L. Temirgaziyev B. Kassymova M. Almagambetov K. Melsov M. Kozhanova A. Drasar P. Adekenov S.
December 2025Elsevier B.V.
Fitoterapia
2025#187
3α,14α,22R,25-Tetrahydroxy-5β(H)-cholest-7-en-6-one, or 3-epi-2-deoxyecdysone, was isolated from the aerial parts of the Kazakhstani plant Acanthophyllum gypsophiloides Regel. Quantum-chemical calculations of the molecules using density functional theory (DFT) and ONIOM (a hybrid method combining quantum and molecular mechanics) were carried out to investigate the stability and properties of the inclusion complex of 3-epi-2-deoxyecdysone with β-cyclodextrin. Directed synthesis was performed, and supramolecular complex formation of the phytoecdysteroid with β-cyclodextrin was studied by NMR spectroscopy. The analgesic and anti-inflammatory activities of the resulting complex were evaluated. Copyright
3-epi-2-deoxyecdysone , Analgesic and anti-inflammatory activity , DFT and ONIOM methods , Supramolecular complex , Β-Cyclodextrin
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Research and Production Center “Phytochemistry”, Gazaliyev St. 4, Karaganda, 100009, Kazakhstan
Academician E.A. Buketov Karaganda University, Universitetskaya St. 28, Karaganda, 100028, Kazakhstan
University of Chemistry and Technology Prague, Praha, 166 28, Czech Republic
Research and Production Center “Phytochemistry”
Academician E.A. Buketov Karaganda University
University of Chemistry and Technology Prague
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