Mechanisms of action of the antibiotic ciprofloxacin on the DNA-binding protein Dps detected by molecular modeling techniques
K B Tereshkina
1
,
Eduard V Tereshkin
1
,
Vladislav V Kovalenko
1
,
Yurii Fedorovich Krupyanskii
1
,
Nataliya G Loiko
2
Publication type: Journal Article
Publication date: 2025-02-18
scimago Q3
wos Q3
SJR: 0.305
CiteScore: 3.0
Impact factor: 1.7
ISSN: 09599436, 1364551X
Abstract
A comprehensive analysis of the effect of the antibiotic ciprofloxacin on the DNA-binding protein Dps of the bacterium <em>Escherichia coli </em>was carried out using three molecular modeling methods: docking, umbrella sampling for calculating mean force potential profiles and classical molecular dynamics. It was shown that ciprofloxacin can penetrate into the internal cavity of the protein, as well as adsorb to the surface, reducing the ability of the N-termini to bind DNA.
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Tereshkina K. B. et al. Mechanisms of action of the antibiotic ciprofloxacin on the DNA-binding protein Dps detected by molecular modeling techniques // Mendeleev Communications. 2025. Vol. 35. No. 2. pp. 148-151.
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Tereshkina K. B., Tereshkin E. V., Kovalenko V. V., Krupyanskii Y. F., Loiko N. G. Mechanisms of action of the antibiotic ciprofloxacin on the DNA-binding protein Dps detected by molecular modeling techniques // Mendeleev Communications. 2025. Vol. 35. No. 2. pp. 148-151.
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TY - JOUR
DO - 10.71267/mencom.7567
UR - https://www.mathnet.ru/mendc19
TI - Mechanisms of action of the antibiotic ciprofloxacin on the DNA-binding protein Dps detected by molecular modeling techniques
T2 - Mendeleev Communications
AU - Tereshkina, K B
AU - Tereshkin, Eduard V
AU - Kovalenko, Vladislav V
AU - Krupyanskii, Yurii Fedorovich
AU - Loiko, Nataliya G
PY - 2025
DA - 2025/02/18
PB - OOO Zhurnal "Mendeleevskie Soobshcheniya"
SP - 148-151
IS - 2
VL - 35
SN - 0959-9436
SN - 1364-551X
ER -
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@article{2025_Tereshkina,
author = {K B Tereshkina and Eduard V Tereshkin and Vladislav V Kovalenko and Yurii Fedorovich Krupyanskii and Nataliya G Loiko},
title = {Mechanisms of action of the antibiotic ciprofloxacin on the DNA-binding protein Dps detected by molecular modeling techniques},
journal = {Mendeleev Communications},
year = {2025},
volume = {35},
publisher = {OOO Zhurnal "Mendeleevskie Soobshcheniya"},
month = {feb},
url = {https://www.mathnet.ru/mendc19},
number = {2},
pages = {148--151},
doi = {10.71267/mencom.7567}
}
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MLA
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Tereshkina, K. B., et al. “Mechanisms of action of the antibiotic ciprofloxacin on the DNA-binding protein Dps detected by molecular modeling techniques.” Mendeleev Communications, vol. 35, no. 2, Feb. 2025, pp. 148-151. https://www.mathnet.ru/mendc19.