Abstract

The active compounds of Curcuma longa (Curcumin I and Curcumin II) were investigated by using density functional theory (DFT) and hartree–fock (HF) in blood and gases. Curcumin II react with the radicalic forms of the molecules that cause cancer cell formation easily. On the other hand, the free energy of Curcumin I is higher than Curcumin II. Hence, hydrogen bonds formation of Curcumin II is more than Curcumin I. So, medical experimental studies can be done for these two substances.

Key words: Curcumin I, Curcumin II, density functional theory (DFT), hartree–fock (HF).