Quantum-chemical modeling of methotrexate fullerenol radionuclide agents for cancer therapy
https://doi.org/10.29235/1561-8331-2019-55-2-163-170
Abstract
In order to therapeutically destroy cancer neoplasms, chemotherapy or radiotherapy are commonly used. In the isotope medicine, however, medical isotopes of the short-lived radionuclides are injected into the tumor (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). Binary, or neutroncapturing, technology is a technology developed for the selective effect on malignant tumors and using a tropic to tumors preparations containing non-radioactive nuclides (10B, 113Cd, 157Gd et. al.). Triadic technology is a sequential administration of a combination of two or more separately inactive and harmless components tropic to tumor tissues that can selectively accumulate in them or react with each other to destroy tumors under certain external impacts. The aim of this work is the quantum-chemical modeling of the electronic structure and the analysis of the thermodynamic stability of the new methotrexate containing nanoscale fullerenolic radionuclide tumor-fghting agents. The need for preliminary studies on modeling of such objects is caused by the very high labor intensity, cost and complexity of their practical preparation.
Keywords
About the Authors
E. A. DikusarBelarus
Evgenij A. Dikusar – Ph. D. (Chemistry), Senior researcher
13, Surganov Str., 220072, Minsk
A. L. Pushkarchuk
Belarus
Alexander L. Pushkarchuk – Ph. D. (Physics and Mathematics), Senior researcher
13, Surganov Str., 220072, Minsk
T. V. Bezyazychnaya
Belarus
Tatsiana V. Bezyazychnaya – Ph. D. (Physics and Mathematics), Senior researcher
13, Surganov Str., 220072, Minsk
V. I. Potkin
Belarus
Vladimir I. Potkin – Corresponding Member, D. Sc. (Chemistry), Professor, Head of the Department
13, Surganov Str., 220072, Minsk
A. G. Soldatov
Belarus
Andrei G. Soldatov – Ph. D. (Chemistry), Senior researcher
19, P. Brovka Str., 220072, Minsk
S. A. Kuten
Belarus
Siamion A. Kutsen – Ph. D. (Physics and Mathematics), Head of the Laboratory
11, Bobruiskaya Str., 220030, Minsk
S. G. Stepin
Belarus
Svjatoslav G. Stepin – Ph. D. (Chemistry), Associate Professor
17, Frunze Ave., 210023, Vitebsk
A. P. Nizovtsev
Belarus
Alexander P. Nizovtsev – D. Sc. (Physics and Mathematics), Leading researcher
68, Independence Ave., 220072, Minsk
S. Ya. Kilin
Belarus
Sergei Y. Kilin – Academician, D. Sc. (Physics and Mathematics), Professor, Head of the Center of Quantum Optics and Quantum Informatics
68, Independence Ave., 220072, Minsk
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