Project 2–3: Design of Antimicrobial Peptides for Nano-engineered Active Coatings

Principal Investigator: Eric Darve (Stanford University)

Antimicrobial coatings have seen a recent increase in the number and types of applications for which they are used—from kitchen countertops to protection against biowarfare agents. Not only do these coatings help prevent the transmission of harmful microbes among items coming in contact with a coated surface, but they can protect the underlying structures from damage due to mold, fungus, or other harmful agents.

This project, which began in 2009, focuses on mathematical methods and numerical algorithms describing interactions between antimicrobial peptides (cecropin, in particular) and cell membranes. (Peptides, the building blocks for proteins, are short chains of amino acids.) Computational methods include novel numerical algorithms to make long time-scale predictions such as rates of rare events, slow reaction rates, and numerical models for the mode of action of peptides. Later stages of the project will incorporate mutation studies to determine which peptides could successfully be used for active coatings. Results of the modeling and simulation studies are being applied to laboratory studies of polymeric coatings and antimicrobial peptides.

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