Open AccessMolecular Docking simulation and Fluorescence lifetime characteristics of NIR Cyanine Dye Complexes with Albumin
Author(s) -
Alexey A. Kostyukov,
Mikhail G. Mestergazi,
Аnna М. Shmykova,
T. A. Podrugina,
V. I. Pogonin,
Eugene V. Radchenko,
Vladimir A. Palyulin,
Iouri Borissevitch,
В. А. Кузьмин
Publication year - 2020
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/848/1/012040
Subject(s) - cyanine , fluorescence , photoisomerization , chemistry , photochemistry , human serum albumin , docking (animal) , excited state , chromatography , organic chemistry , optics , catalysis , medicine , physics , nursing , isomerization , nuclear physics
The high sensitivity of modern techniques for lifetime detection opens new significant opportunities for investigation of various processes in the biological media. Here, we report on the novel sub-class of cyanine dyes. We examined the effect of electronic coupling on the optical properties of the complex of the dye with the human serum albumin. TCSPC measurements of fluorescence decay provided evidence that the studied dye generates more than two kinds of complexes with albumin. It was established that the effect of “frozen structure” in complex changes the rate of photoisomerization way of the dye’s excited state degradation. Furthermore, by means of molecular docking, the experimentally proposed mechanism of complex formation and the existence of several binding sites were confirmed.