Repetsky, StanislavVyshyvana, IrynaKuznietsova, H.Rybalchenko, V.Kruchinin, SergeiTykhoniuk, O.Milokhov, D.Khilya, O.Melnyk, Ruslan2021-03-112021-03-112020Models nanocomplexes based on C-60 fullerene for creation of biologically active agents for medicine [electronic resource] / Repetsky S. P., Vyshyvana I. G., Kuznietsova H. M., Rybalchenko V. K., Kruchinin S. P., Tykhoniuk O. I., Milokhov D. S., Khilya O. V., Melnyk R. M. // Modern Physics Letters B. - 2020. - Vol. 34, Issue 19-20, Special Issue. - Article Number 2040064.https://doi.org/10.1142/S0217984920400643https://ekmair.ukma.edu.ua/handle/123456789/19608Complex drugs based on C60 fullerence and pyrrole derivatives are promising for the development of antitumor and anti-inflammatory agents for use in targeted therapy, but have little efficiency in the synthesis of such complexes and have virtually no stable synthesis products with fullerene. The stability of the nanocomplex based on [60] PCBA and the intermediate compound based on “1H-pyrrole-2,5-dione” effective for the synthesis of targeted therapeutic agents was investigated by means of numerical calculations. The application of quantum-chemical methods in the Gaussian package establishes the stability of the nanocomplex at human body temperatures, the possibility of using such complexes for further study of the therapeutic properties of the individual components of the decomposition products of the nanocomplex.enmodeling of nanocomplexesquantum-mechanical methodsantitumor and anti-inflammatory agentsfullerenepyrrole derivativearticleArticle