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 C₂₄ fullerene 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.