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 ( 59 Fe, 90 Y, 95 Zr, 99m Tc, 106 Ru, 114* In, 147 Eu, 148 Eu, 155 Eu, 170 Tm, 188 Re, 210 Po, 222 Rn, 230 U, 237 Pu, 240 Cm, 241 Cm, 253 Es). 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 ( 10 B, 113 Cd, 157 Gd 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.