PreNanoTox Predictive toxicology of engineered nanoparticles
The overall goal of PreNanoTox is providing tools for establishing the necessary theoretical and in-silico based knowledge for the construction of a platform for predictive nanotoxicity which will be offered to industry and to health and environmental regulation authorities. A special effort will be dedicated to harmonize the activity of PreNanoTox with the other EC funded modelling consortia. In order to achieve this goal it is intended to address the following objectives:
- Formation of a large nanotoxicological database of in-vitro and in-vivo studies of selected NPs by developing and applying methodologies of automated information extraction on a large repository of peer-refereed scientific articles, and validate its quality.
- Develop, adapt and validate novel methodologies for establishing QNAR modeling as a tool for predicting biological effects of selected engineered NPs. QNAR will be applied on a large toxicological database of selected NPs to be formed from the scientific literature.
- Develop theory and simulation programs on nanoparticle adsorption and wrapping by the cell membrane and validate experimentally their predictions. Emphasis will be on uncovering of the physico-chemical properties that affect the interaction of selected NPs with cell membrane and lead to their consequent intracellular uptake.