| 초록 |
Antimicrobial peptides have been recognized as a solution to the increasing threat of multi-drug-resistant bacteria. However, the use of AMPs is still challenging due to low efficacy, productivity, and high hemolytic activity. In this study, we introduce the PEG-based polymers that can combine the advantages of a PEG backbone with the amino acid residues from natural AMPs to overcome the issues. Herein, we conducted molecular dynamic (MD) simulations based on Martini force field. The antimicrobial and hemolytic activities of random and block copolymers were investigated by MD simulations of polymers on bacterial cell membrane and red blood cell membrane, respectively. Furthermore, we calculated the binding energy of polymers on RBC membrane to clarify the observed differences in the random and block polymers’ hemolytic activities. This theoretical approach reveals the critical role of the hydrophobic monomers of peptidomimetic polymer in modulating the selectivity of polymers. |
