A model for the chiral recognition of L and D amino acids by helicoidal systems

Summary The interaction between a helix and an amino acid molecule is determined on the basis of semi-empirical potentials including Lennard-Jones, electrostatic, induction and hydrogen bond contributions. Calculations are performed for various values of the helix characteristics which schematize helicoidal polysaccharides (cellulose, cellulose derivatives). The helix configuration acts as a chiral revealer as it frozes the amino acid inside its cavity. The chiral discriminatory ratio is maximum for similar sizes of the cavity and of the analyte.