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Titanium Dioxide Nanoparticle-Protein Interaction Explained by Docking Approach

Titanium Dioxide Nanoparticle-Protein Interaction Explained by Docking Approach

Shivendu Ranjan, Nandita Dasgupta, Chinnappan Sudandiradoss, Chidambaram Ramalingam, Ashtosh Kumar

Int J Nanomedicine. 2018 Mar 15;13(T-NANO 2014 Abstracts):47-50.

PMID: 29593394

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.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP13463677-C	Titanium dioxide		13463-67-7	Price

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