Effect of dopamine-functionalization, charge and pH on protein corona formation around TiO₂ nanoparticles.

ABSTRACT: Inorganic nanoparticles (NPs) are gaining increasing attention in nanomedicine because of their stimuli responsiveness, which allows combining therapy with diagnosis. However, little information is known about their interaction with intracellular or plasma proteins when they are introduced in a biological environment. Here we present atomistic molecular dynamics (MD) simulations investigating the case study of dopamine-functionalized TiO₂ nanoparticles and two proteins that are overexpressed in cancer cells, i.e. PARP1 and HSP90, since experiments proved them to be the main components of the corona in cell cultures. The mechanism and the nature of the interaction (electrostatic, van der Waals, H-bonds, etc.) is unravelled by defining the protein residues that are m

SUBMITTER: Siani P 

PROVIDER: S-EPMC8969454 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature