Effect of dyes on amino acids complexation: modeling by DFT methods
Inna L. Plastun, Anatoly A. Naumov, Yuri Gagarin Saratov State Technical University
Abstract
Effect of dyes on hydrogen bonds formation possibility between amino acids was considered. Analysis of dye effect on amino acids complexation is caused by need for its use as a fluorescent label in study of drugs passing through vessels and tissues of body in vivo. Computer simulation was based on molecular structures and IR spectra calculation using the density functional theory methods, followed by an analysis of formed hydrogen bonds parameters. It was found that dyes has a weak effect on amino acids complexation and, therefore, does not lead to therapeutic effect decrease.
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Inna L.Plastun
Yuri Gagarin Saratov State Technical University
Russia
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