Quantum chemical designing of cholesterol containing radionuclide anticancer agents

Abstract

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.