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

Details

• Personal Author:
  Kagan VE ; Shvedova AA ; Yanamala N
• 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 details of 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. [Description provided by NIOSH]
• Subjects:
  Chemistry Diagnosis Occupational Health Safety
• Keywords:
  Analytical-models Biological-systems Biomedical-engineering Cell-function Cellular-function Cellular-reactions Chemical-properties Chemical-structure Diagnostic-techniques Molecular-biology Molecular-structure Nanotechnology Structural-analysis Therapeutic-agents

  More +
• ISSN:
  0169-409X
• Document Type:
  Text
• Funding:
  Grant
• Genre:
  Journal Article
• Place as Subject:
  OSHA Region 3 ; West Virginia
• CIO:
  National Institute for Occupational Safety and Health (NIOSH)
• Division:
  HELD - Health Effects Laboratory Division
• Topic:
  Workplace Safety & Health
• Location:
  North America
• Volume:
  65
• Issue:
  15
• NIOSHTIC Number:
  nn:20042729
• Citation:
  Adv Drug Deliv Rev 2013 Dec; 65(15):2070-2077
• Federal Fiscal Year:
  2014
• NORA Priority Area:
  Mining
• Performing Organization:
  University of Pittsburgh at Pittsburgh
• Peer Reviewed:
  True
• Start Date:
  20050701
• Source Full Name:
  Advanced Drug Delivery Reviews
• End Date:
  20160630
• Collection(s):
  National Institute for Occupational Safety and Health
• Main Document Checksum:
  urn:sha-512:7f9e483e01f88b5e388c31e37b01c1d6e41260588acba8c1b8fb442471c3639ffaf5c7605296691664c23fd977395bd02844516b40c4172dcea23acbc57b69e2
• Download URL:
  https://stacks.cdc.gov/view/cdc/194863/cdc_194863_DS1.pdf
• File Type:
  [PDF - 6.15 MB ]