Models nanocomplexes based on C-60 fullerene for creation of biologically active agents for medicine
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Date
2020
Authors
Repetsky, Stanislav
Vyshyvana, Iryna
Kuznietsova, H.
Rybalchenko, V.
Kruchinin, Sergei
Tykhoniuk, O.
Milokhov, D.
Khilya, O.
Melnyk, Ruslan
Journal Title
Journal ISSN
Volume Title
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Abstract
Complex 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.
Description
Keywords
modeling of nanocomplexes, quantum-mechanical methods, antitumor and anti-inflammatory agents, fullerene, pyrrole derivative, article
Citation
Models 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.