(759g) Comparison of Poly (ethylene glycol) and Zwitterionic Materials for Their Interactions with Proteins: a Molecular Dynamics Simulation

Biocompatible materials with highly nonspecific protein resistance are critical for the development of many applications such as drug delivery, medicine tensor and marine coating. Poly(ethylene glycol) and polyzwitterion are two types of biomaterials both present excellent nonfouling performance. However, the interaction mechanisms of them to the protein are still not well elucidated. Furthermore, it is still unclear whether they would affect the protein in different ways. This information is paramount to the rational design of biomaterials. In this work, we used molecular dynamics simulation to study the interactions of oligo (ethylene glycol)₄ and carboxybetaine with the protein. We investigated their interaction to protein and the influence to protein structure. The flexibilities of the whole protein and individual residues are investigated. The simulation results indicate, although both of these two molecules can protect the protein, their influences to the protein are different.