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Process of complexation of lovastatin with transition metal ions (cobalt, gadolinium) explored by high resolution NMR spectroscopy and molecular dynamics

Timur R Islamov 1
Timur R Islamov
, 
Oksana Vartanovna Aganova 1
Oksana Vartanovna Aganova
, 
Ilfat Zufarovich Rakhmatullin 1
Ilfat Zufarovich Rakhmatullin
, 
Aidar Rafailovich Yul'metov 1
Aidar Rafailovich Yul'metov
, 
Artyom S Tarasov 1
Artyom S Tarasov
, 
1 Institute of Physics, Kazan Federal University, 420008 Kazan, Russian Federation
10.71267/mencom.7885
Published 2026-02-03
Communication , Volume 36, Issue 2, 206-208
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Islamov T. R. et al. Process of complexation of lovastatin with transition metal ions (cobalt, gadolinium) explored by high resolution NMR spectroscopy and molecular dynamics // Mendeleev Communications. 2026. Vol. 36. No. 2. pp. 206-208.
GOST all authors (up to 50) Copy
Islamov T. R., Aganova O. V., Rakhmatullin I. Z., Yul'metov A. R., Tarasov A. S., Klochkov V. V. Process of complexation of lovastatin with transition metal ions (cobalt, gadolinium) explored by high resolution NMR spectroscopy and molecular dynamics // Mendeleev Communications. 2026. Vol. 36. No. 2. pp. 206-208.
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TY - JOUR
DO - 10.71267/mencom.7885
UR - https://mendcomm.colab.ws/publications/10.71267/mencom.7885
TI - Process of complexation of lovastatin with transition metal ions (cobalt, gadolinium) explored by high resolution NMR spectroscopy and molecular dynamics
T2 - Mendeleev Communications
AU - Islamov, Timur R
AU - Aganova, Oksana Vartanovna
AU - Rakhmatullin, Ilfat Zufarovich
AU - Yul'metov, Aidar Rafailovich
AU - Tarasov, Artyom S
AU - Klochkov, Vladimir Vasil'evich
PY - 2026
DA - 2026/02/03
PB - Mendeleev Communications
SP - 206-208
IS - 2
VL - 36
ER -
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@article{2026_Islamov,
author = {Timur R Islamov and Oksana Vartanovna Aganova and Ilfat Zufarovich Rakhmatullin and Aidar Rafailovich Yul'metov and Artyom S Tarasov and Vladimir Vasil'evich Klochkov},
title = {Process of complexation of lovastatin with transition metal ions (cobalt, gadolinium) explored by high resolution NMR spectroscopy and molecular dynamics},
journal = {Mendeleev Communications},
year = {2026},
volume = {36},
publisher = {Mendeleev Communications},
month = {Feb},
url = {https://mendcomm.colab.ws/publications/10.71267/mencom.7885},
number = {2},
pages = {206--208},
doi = {10.71267/mencom.7885}
}
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Islamov, Timur R., et al. “Process of complexation of lovastatin with transition metal ions (cobalt, gadolinium) explored by high resolution NMR spectroscopy and molecular dynamics.” Mendeleev Communications, vol. 36, no. 2, Feb. 2026, pp. 206-208. https://mendcomm.colab.ws/publications/10.71267/mencom.7885.

Keywords

cobalt
gadolinium
lovastatin
molecular dynamics
NMR spectroscopy
statins

Abstract

The work is devoted to investigation of the process of complexation of lovastatin with transition metal ions (cobalt and gadolinium) by 1H, 1H–13C heteronuclear multiple bond correlation (HMBC) nuclear magnetic resonance (NMR) and molecular dynamics (MD) methods. According to the obtained results, Co2+ ions interact with lovastatin at a more external position possibly favoring oxygen-rich regions in the periphery of the molecule. Gd3+ ions tend to localize in a more internal region of the lovastatin ring that contains groups 14–17 compared to Co2+.

Funders

Russian Science Foundation
25-13-00042

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