Spectral manifestations of the HAEE tetrapeptide with aliphatic and aromatic amino acids

Abstract

Using the methods of density functional theory, the intermolecular interaction of HAEE tetrapeptide with amino acids was studied. The structures and IR spectra of the obtained compounds were calculated, as well as the parameters of hydrogen bonds were analyzed, on the basis of which conclusions were drawn about the possibilities and degree of complexation. Aliphatic and aromatic amino acids, in particular alanine, glycine and phenylalanine, were selected as amino acids. As a result of modeling, it was found that HAEE zinc complexes with amino acids are promising pharmacological preparations in which the HAEE tetrapeptide is in the most favorable "unfolded" conformation for the realization of physiological functions.

Speaker

Bryksin K. A.
SSTU named after Gagarin U.A.
Russia

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