In Silico Study of Physicochemical Characteristics and Anticancer Potential of Peptides Derived from Salvia Hispanica

Abstract

Peptides derived from Salvia hispanica´s protein fraction < 1 kDa, were identified and analyzed for the prediction of their physicochemical properties. The characterized peptide sequences were then submitted to a multi-criteria decision analysis to identify the peptides that possess the characteristics to potentially exert anticancer activity. Through molecular docking analysis, the potential anticancer activity of the Potentially Anticancer Peptide (PAP)-1, PAP-2, PAP-3, PAP-4 and PAP-5, was estimated by their binding interactions with cancer and apoptosis related molecules. All five evaluated PAPs exhibited strong binding interactions (<-100 kcal/mol); however, PAP-3 showed the lowest binding free energies with several of the targets. Thus, PAP-3 shows potential to be used as a nutraceutical or ingredient for functional foods that adjuvates in cancer treatment. Further in vitro and in vivo studies are required to validate the predictions obtained by the in silico analysis, and to establish the mechanism of action and the clinical potential of the peptide.