ABSTRACT
Cancer is one of the leading causes of death worldwide. Conventional cancer therapies are not selective to cancer cells resulting in serious side effects on patients. Thus, the need for complementary treatments that improve the patient's response to cancer therapy is highly important. To predict and evaluate the physicochemical characteristics and potential anticancer activity of the peptides identified from S. hispanica protein fraction <1 kDa through the use of in silico tools. 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 adjuvate in cancer treatment. Conclusions: Through the molecular docking studies, the binding of the PAPs to target molecules of interest for cancer treatment was successfully simulated, from which PAP-3 exhibited the lowest binding free energies. Further in vitro and in vivo studies are required to validate the predictions obtained by the in silico analysis.Communicated by Ramaswamy H. Sarma.
ABSTRACT
Salvia hispanica demonstrated to be a source of protein fractions with anticancer activity. The effect of the protein fractions <1, 1-3, and 3-5 kDa, obtained by ultrafiltration of the S. hispanica hydrolysate, was evaluated on the cellular viability of four cancer cell lines (MCF-7, Caco2, PC-3, and HepG2) and on human fibroblasts (hFB) at different concentrations (0.25, 0.5, 0.75, and 1 mg/ml). The protein fractions did not show cytotoxic effects on hFB. The protein fraction <1 kDa at 1 mg/ml showed the highest statistical effect on the cellular viability of all evaluated cancer lines; thus, its amino acid sequence was analyzed. From the multicriteria decision analysis of the peptide sequences obtained by mass spectrometry, the peptide KLKKNL with potential anticancer activity was selected. In conclusion, protein fractions could represent a therapeutic option for cancer treatment. However, further investigations are necessary to establish conclusive arguments. PRACTICAL APPLICATION: The work of this article is based on the background of the increasing potential of peptides for the treatment of chronic diseases. The results of this study present peptides of low molecular weight, obtained from chia seeds, as a potential adjuvant option for cancer treatment.
