Polypeptide-Nanoparticle Interactions and Corona Formation Investigated by Monte Carlo Simulations.

ABSTRACT: Biomacromolecule activity is usually related to its ability to keep a specific structure. However, in solution, many parameters (pH, ionic strength) and external compounds (polyelectrolytes, nanoparticles) can modify biomacromolecule structure as well as acid/base properties, thus resulting in a loss of activity and denaturation. In this paper, the impact of neutral and charged nanoparticles (NPs) is investigated by Monte Carlo simulations on polypeptide (PP) chains with primary structure based on bovine serum albumin. The influence of pH, salt valency, and NP surface charge density is systematically studied. It is found that the PP is extended at extreme pH, when no complex formation is observed, and folded at physiological pH. PP adsorption around oppositely-charged NPs strongly limits c

SUBMITTER: Carnal F 

PROVIDER: S-EPMC6432162 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature