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JOURNALS // Journal of Siberian Federal University. Mathematics & Physics // Archive

J. Sib. Fed. Univ. Math. Phys., 2024 Volume 17, Issue 6, Pages 808–816 (Mi jsfu1214)

Structure determination of the Pb$^{2+}$-specific GT aptamer using SAXS and molecular modeling methods

Polina V. Artyushenkoab, Irina A. Shchugorevaab, Anna N. Berlinac, Nadezhda S. Komovac, Kseniya V. Serebrennikovac, Roman V. Moryachkova, Vladimir N. Zabludad, Alexey E. Sokolovde, Felix N. Tomilinade, Anna S. Kichkailoab

a Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
b Prof. V. F. Voino-Yasenetsky Krasnoyarsk State Medical University, Krasnoyarsk, Russian Federation
c A. N. Bach Institute of Biochemistry, Research Center of Biotechnology RAS, Moscow, Russian Federation
d Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
e Siberian Federal University, Krasnoyarsk, Russian Federation

Abstract: Aptamer GT conjugated with gold nanoparticles is specific for heavy metal ions and can be used for water quality control and environmental monitoring. Circular dichroism (CD) and small-angle X-ray scattering (SAXS) measurements were performed to determine the structure of the aptamer complex with lead (II) ions. Comparison of the measurement results with different options of the spatial structure of the complexes obtained using molecular modeling allowed us to determine how the aptamer changes its conformation due to interacting with the target.

Keywords: aptamers, heavy metal ions, small-angle X-ray scattering, circular dichroism spectroscopy, molecular modeling.

UDC: 54.182; 546.55; 538.958

Received: 10.08.2024
Received in revised form: 16.09.2024
Accepted: 20.10.2024

Language: English



© Steklov Math. Inst. of RAS, 2025