Molecular modeling of metal salts and flagellin interaction during the formation of silver sulphide nanoparticles.

Abstract

The aim of this work is to analyze by numerical modeling the level of interaction of protein structures with salts of a working solution used to obtain nanoparticles of silver sulfide by biosynthesis using gram-positive bacteria Bacillus subtilis 168. One of the defining components of bacterial synthesis is flagellin protein, which is capable of self-organizing into hollow cylindrical structures and As experimental studies show, it is the only protein adsorbed on the surface of the resulting nanoparticles during synthesis based on Bacillus subtilis 168. The studied objects were the AgNO3 and Na2S2O3 salts involved in the synthesis process and the non-standard amino acid methyl lysine, which is part of flagellin. In the course of modeling, it was found that methyllisine forms fairly stable molecular complexes with silver nitrate AgNO3 and sodium thiosulfate Na2S2O3. This makes it possible to speak about the significant role of methylysine in the formation of nanoparticles of silver sulfide and clarifies the mechanism of its functioning in the composition of flagellin.

Speaker

Zakharov A.A.
Yuri Gagarin State Technical University of Saratov
Russia

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