Title |
Titanium dioxide nanoparticle–protein interaction explained by docking approach
|
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Published in |
International Journal of Nanomedicine, March 2018
|
DOI | 10.2147/ijn.s125008 |
Pubmed ID | |
Authors |
Shivendu Ranjan, Nandita Dasgupta, Chinnappan Sudandiradoss, Chidambaram Ramalingam, Ashtosh Kumar |
Abstract |
Titanium dioxide has been proven for toxicity by in vitro and in vivo approaches, however, further studies are needed in nano-toxicological research using in silico analysis. In this study, Autodock 4.0.5 was used in an attempt to evaluate the interaction of titanium dioxide with proteins. Different cellular proteins were sorted to study the interaction, binding sites, and active sites as a pocket. These pockets have been determined using CastP - an online server. The analysis for the docked structures was performed with regard to the most efficient binding with amino acids. This study is the first of its kind to report on the in silico docking interaction of titanium dioxide nanoparticles without any surface modification. The higher negative binding energy shows strong binding of titanium dioxide with proteins. A strong interaction with different cellular proteins was observed, and more specifically, titanium dioxide nanoparticles showed frequent interaction with proline, lysine, as well as leusine. |
X Demographics
Geographical breakdown
Country | Count | As % |
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Unknown | 1 | 100% |
Demographic breakdown
Type | Count | As % |
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Members of the public | 1 | 100% |
Mendeley readers
Geographical breakdown
Country | Count | As % |
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Unknown | 45 | 100% |
Demographic breakdown
Readers by professional status | Count | As % |
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Student > Ph. D. Student | 9 | 20% |
Student > Bachelor | 7 | 16% |
Student > Doctoral Student | 4 | 9% |
Student > Postgraduate | 4 | 9% |
Student > Master | 4 | 9% |
Other | 7 | 16% |
Unknown | 10 | 22% |
Readers by discipline | Count | As % |
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Biochemistry, Genetics and Molecular Biology | 10 | 22% |
Agricultural and Biological Sciences | 8 | 18% |
Pharmacology, Toxicology and Pharmaceutical Science | 5 | 11% |
Chemistry | 5 | 11% |
Immunology and Microbiology | 1 | 2% |
Other | 2 | 4% |
Unknown | 14 | 31% |