Molecular modeling in structural nano-toxicology: Interactions of nano-particles with nano-machinery of cells

Details

• Alternative Title:
  Adv Drug Deliv Rev
• Personal Author:
  Yanamala, Naveena ; Kagan, Valerian E. ; Shvedova, Anna A.
• Description:
  Over the past two decades, nanotechnology has emerged as a key player in various disciplines of science and technology. Some of the most exciting applications are in the field of biomedicine - for theranostics (for combined diagnostic and therapeutic purposes) as well as for exploration of biological systems. A detailed understanding of the molecular interactions between nanoparticles and biological nano-machinery - macromolecules, membranes, and intracellular organelles - is crucial for obtaining adequate information on mechanisms of action of nanomaterials as well as a perspective on the long term effects of these materials and their possible toxicological outcomes. This review focuses on the use of structure-based computational molecular modeling as a tool to understand and to predict the interactions between nanomaterials and nano-biosystems. We review major approaches and provide examples of computational analysis of the structural principles behind such interactions. A rationale on how nanoparticles of different sizes, shape, structure and chemical properties can affect the organization and functions of nano-machinery of cells is also presented.
• Keywords:
  Comparable Sizes Of Nanoparticles Computational Predictions Humans Inhibition Of Nano-mechanisms Models, Molecular Molecular Dynamics Simulation Molecular Interactions Nano-bio Interactions Nanoparticles Nanotechnology Oxidative Damage Particle Size Surface Properties Toxicology

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• Source:
  Adv Drug Deliv Rev. 65(15):2070-2077
• Pubmed ID:
  23726945
• Pubmed Central ID:
  PMC3819408
• Document Type:
  Journal Article
• Funding:
  R01 HL070755/HL/NHLBI NIH HHSUnited States/ ; R01 OH008282/OH/NIOSH CDC HHSUnited States/ ; U19 AI068021/AI/NIAID NIH HHSUnited States/ ; U19AI068021/AI/NIAID NIH HHSUnited States/ ; OH008282/OH/NIOSH CDC HHSUnited States/ ; HL70755/HL/NHLBI NIH HHSUnited States/ ; 2927ZKCY/PHS HHSUnited States/
• Volume:
  65
• Issue:
  15
• Collection(s):
  CDC Public Access
• Main Document Checksum:
  urn:sha256:156eb39cc15ee97d976c27fb99f9cd7095ca852928ba8a27e6c8adb5da4889c0
• Download URL:
  https://stacks.cdc.gov/view/cdc/29767/cdc_29767_DS1.pdf
• File Type:
  [PDF - 1.37 MB ]