Disease-related metabolites affect protein–nanoparticle interactions

• DOI: 10.1039/c7nr09502c
• Publication Date: 2018-03-08T14:34:00Z
• Authors: Mahdi Tavakol; Abbas Montazeri; Reza Naghdabadi; Mohammad J. Hajipour; Saeid Zanganeh; Giulio Caracciolo; Morteza Mahmoudi
• Keywords: Affect

Once in biological fluids, the surface of nanoparticles (NPs) is rapidly covered with a layer biomolecules (i.e., "protein corona") whose composition strongly determines their identity, regulates interactions entities including cells and immune system, consequently directs fate pharmacokinetics nanoparticles. We recently introduced concept "personalized protein corona" which refers to formation different identities exact same type NP after being exposed extract plasmas from individuals who have various types diseases. As diseases distinct metabolomic profiles metabolites can interact proteins, it legitimate hypothesize that plasma may capacity to, at least partially, drive personalized corona. To test this hypothesis, we employed multi-scale approach composed coarse-grained (CG) all atom (AA) molecular dynamics (MD) simulations probe role glucose cholesterol (model diabetes hypercholesterolemia patients) interaction fibrinogen polystyrene NPs. Our results revealed had induce substantial changes binding site More specifically, simulation demonstrated increasing metabolite amount could change adsorption replacement, what known as Vroman effect, on surface. In addition, also found out substantially determine triggering potency fibrinogen-NP complex. proof-of-concept outcomes further emphasize need for development patient-specific NPs disease type-specific manner high yielding safe clinical applications.