Molecular Insights into Mineral Nanoparticle Interactions with Proteins

Mineral nanoparticles (NPs) are recognized as important actors in biointeractions in soil and in living organisms. Their reactivity is often ascribed to their photo catalytical properties, but more specific enzyme-like activity in oxidation or hydrolysis of proteins, the "nanozyme" behavior is attracting an increasing attention. In the search for possibility to visualize NP interactions on molecular level, we develop approaches to isolation and characterization of protein and peptide complexes with smallest possible NP-the Poly-Oxo-Metalate (POM) species. Structural and theoretical investigation of POM complexes with peptide molecules has permitted to highlight the role of such factors as polarity of metal-oxygen bond, hydrophilicity and hydrophobicity of the peptide ligand, acidity of the medium and its salinity. Using single crystal models and 2D correlation NMR approaches has permitted to get insight into bigger nanoparticles interaction modes with larger proteins, in particular, with those essential for the SARS-CoV-2 virus metabolism.