Insights at the atomistic resolution of lantibiotics using multiscale simulations

Discovery of antibiotics has led to the advancement of human life expectancy and standards of living. However, with time, bacteria have also evolved to fight back the ill effects of antibiotics thus developing resistance to most potent molecules. Thus searches for newer effective molecules against bacterial infections are on rise. This involves development of a group of antimicrobial peptides known as lantibiotics as a potent candidate having minimum lethality toward humans or animals and good stability in the environment. Mathematical models and simulations guide the development of complex models that can shed light on the development of new antibiotic technologies. The present review highlights the scope of mathematical modeling and simulation techniques in deciphering the dynamics of interaction among the lantibiotic peptides with model membrane systems mimicking the bacterial cell walls thereby addressing one of the potent problems of emergence of antibiotic resistance.