Towards mechanisms of nanotoxicity - interaction of gold nanoparticles with proteins and DNA

• Autorzy: Krupa P. , Mozolewska M. A. , Rasulev B. , Czaplewski C. , Leszczyński J.
• Języki publikacji: EN

Abstrakty

EN

Even though most of the existing studies of gold nanoparticles indicate that they are safe to use, some researchers show that specific forms of nanoparticles (e.g. nanorods) are able to destroy the cell membrane and very small nanoparticles (below 37nm in diameter) in high concentration have been deadly for mice. We used the Amber12 package to perform a series of molecular dynamics (MD) simulations of gold nanoparticles with various small proteins important for the human body and a DNA molecule to determine the interactions and consequently the possible toxicity of gold clusters. Lennard-Jones interactions were used to simulate the behavior of gold nanoparticles with biomacromolecules in water with an optimal set of parameters (selected based on a comparison of MD structures and structures computed by DFT). Gold nanoparticle structures were obtained as a result of MD simulations from an initial structure, where gold atoms were at a distance of 10 ̊ A from one another. A predicted BDNA structure of a palindromic sequence‘ CGCATGAGTACGC ’ and a 2 JYK molecule were used as representatives of the DNA molecule. The preliminary results show that, in particular small gold nanoparticle s, interact strongly with proteins and DNA by creating stable complexes, which can then cause harmful reactions to the human body when present in high concentration.

Słowa kluczowe

EN

gold nanoparticles; proteins; DNA; molecular dynamics

PL

nanocząstki złota; białka; DNA; dynamika molekularna

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2014
• Tom: Vol. 18, No 4
• Strony: 337--341
• Opis fizyczny: Bibliogr. 5 poz., rys., wykr.

Twórcy

autor

Krupa P.

• Faculty of Chemistry, University of Gdansk Wita Stwosza 63, 80-952 Gdansk, Poland

autor

Mozolewska M. A.

• Faculty of Chemistry, University of Gdansk Wita Stwosza 63, 80-952 Gdansk, Poland

autor

Rasulev B.

• Interdisciplinary Center for Nanotoxicity Department of Chemistry and Biochemistry, Jackson State University 1325 J.R. Lynch St. 17910, 39217 Jackson, MS, USA

autor

Czaplewski C.

• Faculty of Chemistry, University of Gdansk Wita Stwosza 63, 80-952 Gdansk, Poland

autor

Leszczyński J.

• Interdisciplinary Center for Nanotoxicity Department of Chemistry and Biochemistry, Jackson State University 1325 J.R. Lynch St. 17910, 39217 Jackson, MS, USA

Bibliografia

• [1] 2001 Summary of Evaluations Performed by the Joint FAO/WHO Expert Committee on Food Additives
• [2] Chen Y, Hung Y, Liau I, Huang G 2009 Nanoscale Res. Lett. 4 858
• [3] Heinz H, Vaia R 2008 J. Phys. Chem. C 112 17281
• [4] Majumdar D, Roszak S, Leszczynski J 2012 Can. J. Chem. Eng. 90 (4) 852
• [5] Rasulev B, Watkins M, Theodore M, Jackman J, Leszczynski J 2012 Nanosci. & Nano-tech.-Asia 2 2