Abstract

The creation and use of specialized food products, including those for personalized nutrition based on food peptides of various functional orientations, are limited due to their proteolysis in the gastrointestinal tract and the denaturation of peptides resulting from the heat treatment of food products during production. The study aimed to perform molecular dynamics modeling, to synthesize peptides using molecular transplantation, and to evaluate the in vitro efficacy of the resulting new-generation antimicrobial peptide. The novel hydrophobic peptide was QLSNGLFVDYLWW. The molecular weight of the peptide was 1640.861 Da. It was predicted that the peptide was lipophilic (logP 1.043 units), the VDss distribution and metabolism in the body index was 0.879 units, the CLplasma clearance was 0.879 mL/min/ kg, and the T1/2 half-life was on average from 4 to 8 h. The results clearly demonstrated the antimicrobial activity of the QLSNGLFVDYLWW peptide against Gram-positive and Gram-negative bacteria and yeast. The results allow recommending the peptide as an ingredient for creating functional food products.

Key words: Antimicrobial food peptide, Structure-activity, Molecular-peptide transplantation, Molecular-dynamic modeling, Antimicrobial mechanism of peptide action.