Computer modeling of triterpene glycosides interaction with natural polymer chitosan
- Authors: Mironenko N.V.1, Smuseva S.O.1, Brezhneva T.A.1, Selemenev V.F.1, Nechaeva L.S.1
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Affiliations:
- Voronezh State University
- Issue: Vol 86, No 11 (2016)
- Pages: 2526-2533
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216578
- DOI: https://doi.org/10.1134/S1070363216110207
- ID: 216578
Cite item
Abstract
By means of computer modeling, the main regularities of the interaction of triterpene saponins with chitosan are revealed. It is shown that the sorption of glycosides changes the ordered configuration of chitosan, and the complex of chitosan with saponin, the derivative of quillaic acid, is more stable than the complex with the derivative of oleanolic acid. The formation of complexes occurs due to electrostatic, hydrophobic interactions, and hydrogen bonds, whose strength is determined by the nature, geometry, and specific structure of terpenes of the β-amyrin series.
Keywords
About the authors
N. V. Mironenko
Voronezh State University
Author for correspondence.
Email: natashamir@yandex.ru
Russian Federation, Universitetskaya pl. 1, Voronezh, 394006
S. O. Smuseva
Voronezh State University
Email: natashamir@yandex.ru
Russian Federation, Universitetskaya pl. 1, Voronezh, 394006
T. A. Brezhneva
Voronezh State University
Email: natashamir@yandex.ru
Russian Federation, Universitetskaya pl. 1, Voronezh, 394006
V. F. Selemenev
Voronezh State University
Email: natashamir@yandex.ru
Russian Federation, Universitetskaya pl. 1, Voronezh, 394006
L. S. Nechaeva
Voronezh State University
Email: natashamir@yandex.ru
Russian Federation, Universitetskaya pl. 1, Voronezh, 394006