Malaria is the most important parasitic diseases, affecting almost half of the world. This disease increases in the population of Colombia each year. 5 aromatic compounds were sinthetized, they were evaluated as inhibitor of β-hematin formation and we reported the theoretical study of the compounds-hematin aggregated in order to determine how the interaction drug-receptor could be established. Theoretical study using Gaussian 03 shows the interaction between carbonyl oxygen and Fe in the

more »

... in ring of hemin. The modification of funtional groups in the compounds changes the inhibition of compounds-hemin aggregated. The geometrical parameters of the complexes are relationed with the inhibitory activity.