Functional Materials, 23, No.2 (2016), p.274-278.
Quantum chemical designing of cholesterol containing radionuclide anticancer agents
1Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13 Surganova Str., 220072 Minsk, Belarus
2B. Stepanov Institute of Physic, National Academy of Sciences of Belarus, 68 Prosp. Nezavisimosti, 220072 Minsk, Belarus
3Scientific and Practical Materials Research Center, National Academy of Sciences of Belarus, 19 P.Brovka Str., 220072 Minsk, Belarus
4Research Institute for Nuclear Problems of Belarusian State University, 11 Bobruiskaya Str., 220030 Minsk, Belarus
In this work DFT simulation of the electron structure of cholesterol containing radionuclide agents (cluster systems of carborane (ortho-1, meta-2, para-3) and fullerenol derivatives) for oncological diseases therapy was carried out. Cluster systems of endohedral backminsterfullerenol C60 derivatives have a promise perspectives in medical application as radionuclide (Fe 10a, Y 10b, Re 10c, Po 10d, Rn 10e isotope contained) nanosized anticancer agents. According to the cluster stability data obtained by the DFT calculation there is a possibility of their real practical obtainment.
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