Structure-Functional Study of Tyrosine and Methionine Dipeptides: An Approach to Antioxidant Activity Prediction

摘要: Quantum chemical methods allow screening and prediction of peptide antioxidant activity on the basis known experimental data. It can be used to design selective proteolysis protein sources in order obtain products with activity. Molecular geometry electronic descriptors redox-active amino acids, as well tyrosine methionine-containing dipeptides, were studied by Density Functional Theory method. The calculated data was reveal several responsible for capacities model compounds based their experimentally obtained against ABTS (2,2′-Azino-bis-(3-ethyl-benzothiazoline-6-sulfonate)) peroxyl radical. A formula predict peptides proposed.