Molecular modeling of the process of reversible dissolution of the collagen protein under the action of tissue-clearing agents

K. N. Dvoretsky; K. V. Berezin; M. L. Chernavina; A. M. Likhter; I. T. Shagautdinova; E. M. Antonova; A. V. Rybakov; O. N. Grechukhina; V. V. Tuchin

doi:10.1117/12.2311866

26 April 2018 Molecular modeling of the process of reversible dissolution of the collagen protein under the action of tissue-clearing agents

K. N. Dvoretsky, K. V. Berezin, M. L. Chernavina, A. M. Likhter, I. T. Shagautdinova, E. M. Antonova, A. V. Rybakov, O. N. Grechukhina, V. V. Tuchin

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Proceedings Volume 10716, Saratov Fall Meeting 2017: Optical Technologies in Biophysics and Medicine XIX; 1071624 (2018) https://doi.org/10.1117/12.2311866
Event: Saratov Fall Meeting 2017, 2017, Saratov, Russian Federation

Abstract

The interaction of glycerol immersion agent with collagen mimetic peptide ((GPH)₉)₃ and a fragment of the microfibril 5((GPH)₁₂)₃ was studied by the classical molecular dynamics method using the GROMACS software. The change in geometric parameters of collagen α-chains at various concentrations of an aqueous solution of glycerol is analyzed. It is shown that these changes nonlinearly depend on the concentration and are limited to a certain level, which correlates with the experimental data on optical clearing efficiency of human skin. A hypothesis on the cause of the decreased efficiency of optical skin clearing at high immersion agent concentrations is put forward. The molecular mechanism of immersion optical clearing of biological tissues is discussed.

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K. N. Dvoretsky, K. V. Berezin, M. L. Chernavina, A. M. Likhter, I. T. Shagautdinova, E. M. Antonova, A. V. Rybakov, O. N. Grechukhina, and V. V. Tuchin "Molecular modeling of the process of reversible dissolution of the collagen protein under the action of tissue-clearing agents", Proc. SPIE 10716, Saratov Fall Meeting 2017: Optical Technologies in Biophysics and Medicine XIX, 1071624 (26 April 2018); https://doi.org/10.1117/12.2311866

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