Комплексоутворення водорозчинних калікс[4]арен-фосфіноксидів з антивірусними препаратами

• Datum: 2026
• Hauptverfasser: Kalchenko, Olga I., Drapailo, Andrii B., Cherenok, Sergii O., Selikhova, Anna I., López-Cornejo, Pilar, Kalchenko, Vitaly I.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: National University of Pharmacy 2026
• Schlagworte: каліксарени; антивірусні препарати; супрамолекулярні комплекси; хроматографія; молекулярне моделювання
• Online Zugang: https://ophcj.nuph.edu.ua/article/view/342282
• Назва журналу: Journal of Organic and Pharmaceutical Chemistry

The complexation of tetrahydroxycalix[4]arene-methyldimethylphosphine oxide (CMPO), tetrahydroxythiacalix[4]arene-methyldimethylphosphine oxide (TCMPO), and tetrapropoxycalix[4]arene-methyldiethylphosphine oxide (CEPO) with active pharmaceutical ingredients of antiviral drugs Remdesivir, Nevirapine, Vesatolimod, Bictegravir, Emtricitabine, and Tenofovir in the water medium was studied using the RP HPLC method. By analyzing the dependence of the drug capacity values on the concentration of calixarenes in the chromatographic mobile phase, the stability constants (KA = 1100 - 12000 M-1) of the complexes formed were determined. Quantum-chemical calculations show that the antiviral drugs form supramolecular exo-complexes with the calixarene-phosphine oxide molecules. These complexes can be stabilized by intermolecular hydrogen bonds between the proton acceptor P=O groups and the proton donor groups of antiviral drugs.