Quantum-chemical modeling of methotrexate fullerenol radionuclide agents for cancer therapy

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.

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