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Combined experimental and computational study of biothiol interactions with silver and gold nanoparticles

The metallic nanoparticles (NPs) have gained major interest for biomedical applications, prompting the need for intense research into their fate in the human body and interactions with biomolecules. Silver and gold NPs possess a high affinity for sulphur and are prone to interact with various biothiols, resulting in biotransformations of both NPs and thiol molecules.[1, 2] In this study, we examinedthe binding and interactions of model biothiols, cysteine and glutathione, duringthe formation and exposure to silver and gold NPs. The biothiol transformations are tracked using nuclear magnetic resonance (NMR) spectroscopy, while adsorptionand binding are modelled computationally using molecular dynamics (MD) techniques. In the model system, oxidative dimerization of thiols precedes their binding to the NP surface, and the binding is stronger for dimers compared to monomers.In an in vivo system, this may translate to biothiol depletion and NP destabilization, thereby indicating possible negative consequences for human health.

nanoparticles ; silver ; gold ; cysteine ; glutathione ; nuclear magnetic resonance ; molecular dynamics

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