Quantum-chemical modeling of cortisone-fullerenol agents of cancer therapy

Author:

Dikusar E. A.1,Pushkarchuk A. L.1,Bezyazychnaya T. V.1,Akishina E. A.1,Soldatov A. G.2,Kuten S. A.3,Stepin S. G.4,Nizovtsev A. P.5,Kilin S. Ya.5,Potkin V. I.1

Affiliation:

1. Institute of Physical Organic Chemistry of the National Academy of Sciences of Belarus

2. Scientific-Practical Materials Research Centre of the National Academy of Sciences of Belarus

3. Institute for Nuclear Problem of the Belarusian State University

4. Vitebsk State Order of Peoples’ Friendship Medical University

5. B. I. Stepanov Institute of Physics of the National Academy of Sciences of Belarus

Abstract

In order to therapeutically destroy oncological neoplasms, chemotherapy or radiotherapy is usually applied, and in isotope medicine – short-lived radio nuclides 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 neutron capture) therapy is a technology developed for the selective effect on malignant tumors using drugs that are tropic to tumors and contain non-radioactive nuclides (10B, 113Cd, 157Gd at al.). Triadic therapy involves the sequential introduction into the body of a combination of two or more separately inactive and harmless components, which are tropic to tumor tissues and capable of selectively accumulating in them or chemically interacting with each other and destroying tumor neoplasms under the action of certain sensitizing external influences. The aim of this work is quantum-chemical simulation of the electronic structure and analysis of the thermodynamic stability of new cortisone-fullerenol agents for the treatment of tumor neoplasms. The need for preliminary studies of modeling such objects is due to the very high labor intensity, cost and complexity of their practical production.

Publisher

Publishing House Belorusskaya Nauka

Subject

Inorganic Chemistry,Organic Chemistry,Chemistry (miscellaneous),Analytical Chemistry

Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Tetraeicosahydroxyfullerene C60(ОН)24: optimized preparative synthesis, properties and applica-tions;Proceedings of the National Academy of Sciences of Belarus, Chemical Series;2023-12-02

2. Quantum-chemical modeling of doxorubicino-fullerenol agents of cancer therapy;Proceedings of the National Academy of Sciences of Belarus, Chemical Series;2022-11-29

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