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

Mendeleev Communications 2026

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Authors: T. R. Islamov, Oksana Vartanovna Aganova, I. Z. Rakhmatullin, Aidar Rafailovich Yul'metov, А. Е. Тарасов, Vladimir Vasil'evich Klochkov
DOI: 10.71267/mencom.7885
Cited by: 2
References: 14

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+.

Fields of Study & Subjects

Microbial Metabolism and Applications Protein Interaction Studies and Fluorescence Analysis Metal complexes synthesis and properties

Publication details

Journal / source
Mendeleev Communications
Publisher
OOO Zhurnal "Mendeleevskie Soobshcheniya"
Volume
36
Issue
2
Pages
206–208
Publication date
1 January 2026
Language
RU