Molecular modeling in structural nano-toxicology: interactions of nano-particles with nano-machinery of cells.
Yanamala-N; Kagan-VE; Shvedova-AA
Adv Drug Deliv Rev 2013 Dec; 65(15):2070-2077
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.
Nanotechnology; Biomedical-engineering; Diagnostic-techniques; Therapeutic-agents; Biological-systems; Molecular-biology; Molecular-structure; Cell-function; Cellular-function; Cellular-reactions; Chemical-structure; Analytical-models; Structural-analysis; Chemical-properties
Advanced Drug Delivery Reviews
University of Pittsburgh at Pittsburgh