Silicon dioxide nanoparticles adsorption alters the secondary and tertiary structures of catalase and undermines its activity.

The expanding production and use of nanomaterials in various fields caused big concern for human health. Oxidative stress is the most frequently described mechanism of nanomaterial toxicity. A state of oxidative stress can be defined as the imbalance of reactive oxygen species (ROS) production and antioxidant enzyme activities. Although nanomaterials-triggered ROS generation has been extensively investigated, little is known regarding the regulation of antioxidant enzyme activities by nanomaterials. This study used two typical nanomaterials, SiO2 nanoparticles (NPs) and TiO2 NPs, to predict their binding affinities and interactions with antioxidant enzymes catalase (CAT) and superoxide dismutase (SOD). The molecular docking results showed that CAT and SOD had different binding sites, binding affinity, and interaction modes with SiO2 NPs and TiO2 NPs. The binding affinities of the two NPs to CAT were more potent than those to SOD. Consistently, the experimental work indicated NPs adsorption caused the perturbation of the second and tertiary structures of both enzymes and thus resulted in the loss of enzyme activities.