K. V. Berezin, K. N. Dvoretskii, V. V. Nechaev, A. V. Novoselova, A. M. Likhter, I. T. Shagautdinova, E. V. Grabarchuk, V. V. Tuchin, “Optical clearing of biological tissues with a number of disaccharides”, Optics and Spectroscopy, 2021, Volume 129, Issue 6,Pages <nobr>677

This article is cited in 2 papers

Proceedings of the international conference ''The XXIV Annual Conference Saratov Fall Meeting 2020''
Biophotonics

Optical clearing of biological tissues with a number of disaccharides

K. V. Berezin^a, K. N. Dvoretskii^b, V. V. Nechaev^c, A. V. Novoselova^a, A. M. Likhter^a, I. T. Shagautdinova^a, E. V. Grabarchuk^d, V. V. Tuchin^aef

^a Saratov State University
^b Saratov State Medical University named after V. I. Razumovsky
^c Yuri Gagarin State Technical University of Saratov
^d Astrakhan State University
^e Tomsk State University
^f Institute of Precision Mechanics and Control, Russian Academy of Sciences, Saratov

Abstract: In this paper, we study the interaction of five immersion agents based on solutions of disaccharides (sucrose, maltose, lactose, trehalose, and cellobiose) with collagen peptide (GPH)$_3$ as one of the main components of biological tissues using the methods of classical molecular dynamics (GROMACS), molecular docking (AutoDock Vina), and quantum chemistry (PM6 and DFT/B3LYP). As a result of complex molecular modeling, parameters such as the optical clearing potential for rat skin and the optical clearing efficiency for human skin were predicted for these agents. The reasons for the significant difference in the values of the optical clearing parameters of immersion agents belonging to the same molecular group are discussed.

Keywords: optical clearing of biological tissues, molecular dynamics, molecular docking, quantum chemistry.

Received: 15.12.2020
Revised: 12.02.2021
Accepted: 26.02.2021

DOI: 10.21883/OS.2021.06.50977.8k-21