Aluminum(III) and magnesium(II) interactions with the asparagine and glutamine amino acid chains are studied by the density functional approach. Bader analysis and natural bonding orbital analysis were also performed to analyze the bonding interactions. We began by studying the interactions between the cations and the formamide, and we added two methyl groups sequentially to model more accurately the asparagine and the glutamine amino acid chains. The strongest binding energies for aluminum(III) and magnesium(II) are 372 and 140 kcal/mol, respectively, for asparagine chain and 404 and 145 kcal/mol, respectively, for the glutamine chain. The addition of the first methyl to the formamide has an important effect on the formamide-metal complexes, while the addition of the second methyl does not greatly change the properties of the complexes. The binding energies of these complexes are significantly smaller than tho se of the aluminum(III)/magnesium(II) interactions with the acidic amino acid chains.