Food peptide for the prevention of overweight: virtual screening of toxicity prediction and elimination

The aim of the research is to predict the toxicity and excretion of a biopeptide that prevents obesity. A synthesized peptide with the following sequence of amino acids was used as object of research: CHAECGAACK-EFCLEG, preventing overweight. The peptide has similarities to glucagon-like peptide-1 (GLP-1), which regulates energy metabolism. Peptide characterization is the following: total hydrophobic ratio is 53 %, total charge is +0.25, hydrophobicity of the peptide according to Wimley-White in whole residue is 4.63, molecular weight 1556.826 Da, molecular formula C62H97N19O20S4, protein binding potential (Boman index) is 0.93 kcal / mol, isoelectric point pH 6.77. The peptide is highly soluble in water. The study established that the studied peptide, when ingested, does not cause acute toxicity, hepatotoxicity and cytotoxicity, does not adversely affect heart activity, does not activate heat shock protein gene receptors, does not cause DNA damage and mitochondrial dysfunction. The peptide is characterized by average half-life and low plasma clearance, which makes it effective. It should be noted that predicted characteristics do not always coincide with actual values obtained in in vitro experiments. Therefore, it is possible to recommend the peptide for inclusion in composition of specialized and preventive food products, provided that its effectiveness is proven in preclinical and clinical studies.