Antimicrobial peptides (AMPs) kill microbial cells through insertion followed by aggregation and permeabilization of the cytoplasmic cell  membranes and has applications in food safety.  A hybrid methodology for identification of AMPs from soy protein is proposed based on molecular dynamics (MD) simulation and a mathematical model for the prediction of minimum inhibitory concentration for deactivation (antimicrobial activity) accounting for free energy of formation of a pore by an aggregate of peptides. Peptides for investigation were selected from  soy  �-conglycinin  (7S)  and  glycinin  (11S)  based  on  (i) number of amino acids, (ii) positive  charge, (iii) hydrophobicity and (iv)  hydrophobic moment. This selection was further refined by their ability to form a helix in lipid bilayer of cell membrane as assessed by explicit solvent MD simulation. The antimicrobial activity was tested by using selected synthetic peptides against Listeria monocytogenes and E. Coli and compared with predictions.

Prediction of pore formation in cell membranes by aggregate of peptides from soy protein

248th National Meeting (2014)

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