The effect of water dynamics on conformation changes of albumin in pre-denaturation state: photon correlation spectroscopy and simulation

N. Atamas, V. Bardik*, A. Bannikova, O. Grishina, E. Lugovskoi, S. Lavoryk, Y. Makogonenko, V. Korolovych, D. Nerukh

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

Water is essential for protein three-dimensional structure, conformational dynamics, and activity. Human serum albumin (HSA) is one of major blood plasma proteins, and its functioning is fundamentally determined by the dynamics of surrounding water. The goal of this study is to link the conformational dynamics of albumin to the thermal motions in water taking place in the physiological temperature range. We report the results of photon correlation spectroscopy and molecular dynamics simulations of HSA in aqueous solution. The experimental data processing produced the temperature dependence of the HSA hydrodynamic radius and its zeta potential. Molecular dynamics reproduced the results of experiments and revealed changes in the secondary structure caused by the destruction of hydrogen bonds in the macromolecule's globule.
Original languageEnglish
JournalJournal of Molecular Liquids
VolumeIn press
Early online date7 Jan 2017
DOIs
Publication statusE-pub ahead of print - 7 Jan 2017

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Photon correlation spectroscopy
Denaturation
biopolymer denaturation
albumins
Serum Albumin
Conformations
Albumins
serums
Molecular dynamics
Water
photons
water
spectroscopy
Proteins
simulation
Zeta potential
molecular dynamics
proteins
Macromolecules
blood plasma

Bibliographical note

© 2017, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/

Cite this

Atamas, N. ; Bardik, V. ; Bannikova, A. ; Grishina, O. ; Lugovskoi, E. ; Lavoryk, S. ; Makogonenko, Y. ; Korolovych, V. ; Nerukh, D. / The effect of water dynamics on conformation changes of albumin in pre-denaturation state : photon correlation spectroscopy and simulation. In: Journal of Molecular Liquids. 2017 ; Vol. In press.
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The effect of water dynamics on conformation changes of albumin in pre-denaturation state : photon correlation spectroscopy and simulation. / Atamas, N.; Bardik, V.; Bannikova, A.; Grishina, O.; Lugovskoi, E.; Lavoryk, S.; Makogonenko, Y.; Korolovych, V.; Nerukh, D.

In: Journal of Molecular Liquids, Vol. In press, 07.01.2017.

Research output: Contribution to journalArticle

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T1 - The effect of water dynamics on conformation changes of albumin in pre-denaturation state

T2 - photon correlation spectroscopy and simulation

AU - Atamas, N.

AU - Bardik, V.

AU - Bannikova, A.

AU - Grishina, O.

AU - Lugovskoi, E.

AU - Lavoryk, S.

AU - Makogonenko, Y.

AU - Korolovych, V.

AU - Nerukh, D.

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