Procter & Gamble,
Keywords: molecular modeling, bacteria, membranes
Summary:Characterizing the biophysical properties of bacterial membranes is critical for understanding the protective nature of the microbial envelope, interaction of biological membranes with exogenous materials, and designing new antibacterial agents. Presented here are molecular dynamics simulations of several amphiphilic molecules interacting with a Staphylococcus aureus bacterial inner membrane. The effect of the tested materials on the properties of the model membrane were evaluated for both symmetric and asymmetric loading. The findings provide additional insight into the membrane disruption mode of action for antibacterial agents.