C24 fullerene as drug delivery for anticancer activity of pyridine derivatives: A density functional theory approach

Abstract

Using density functional theory calculations, we investigated interaction between C24 and pyridine derivatives. The Calculated interaction energy of C24 and pyridine derivatives fullerene was about 1.55 to -2.88kJ/mol. The results suggested that the C24 fullerene has low sensitivity to the presence of pyridine derivatives and the electronic properties of the C24fullerene remain almost unchanged. The low values interaction energies of pyridine derivatives as anti-cancer and C24 show that these interactions are weak. This behavior of the nanodiamond (C24) implies that it can be used easily in environmental biology and drug delivery.