From Specific γ-CD/[Nb Cl (H O) ] Recognition to Biological Activity Tuning.

Anton A Ivanov, Tatiana N Pozmogova, Anastasiya O Solovieva, Tatiana S Frolova, Olga I Sinitsyna, Olga V Lundovskaya, Alphiya R Tsygankova, Mohamed Haouas, David Landy, Enrico Benassi, Lidiya V Shestopalova, Clément Falaise, Emmanuel Cadot, Michael A Shestopalov, Pavel A Abramov, Maxim N Sokolov

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 2020;26(33):7479-7485

PMID: 32181923

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Abstract

Specific molecular recognition of γ-cyclodextrin (γ-CD) by the cationic hexanuclear niobium [Nb Cl (H O) ] cluster complex in aqueous solutions results in a 1:1 supramolecular assembly {[Nb Cl (H O) ]@γ-CD} . NMR spectroscopy, isothermal titration calorimetry (ITC), and ESI-MS were used to study the interaction between the inorganic cluster and the organic macrocycle. Such molecular association affects the biological activity of [Nb Cl (H O) ] , decreasing its cytotoxicity despite enhanced cellular uptake. The 1:1 stoichiometry is maintained in solution over a large window of the reagents' ratio, but crystallization by slow evaporation produces a 1:2 host-guest complex [Nb Cl (H O) @(γ-CD) ]Cl ⋅20 H O featuring the cluster encapsulated between two molecules of γ-CD. The 1:2 complex was characterized by XRD, elemental analysis, IR spectroscopy, and thermogravimetric analysis (TGA). Quantum chemical calculations were performed to model host-guest interaction.

Address: Nikolaev Institute of Inorganic Chemistry SB RAS, 3 acad. Lavrentiev ave., 630090, Novosibirsk, Russia.; Novosibirsk State University, 2 Pirogova st., 630090, Novosibirsk, Russia.; Research Institute of Clinical and Experimental Lymphology, Branch of the ICG SB RAS, 2 Timakova st., 630117, Novosibirsk, Russia.; Research Institute of Clinical and Experimental Lymphology, Branch of the ICG SB RAS, 2 Timakova st., 630117, Novosibirsk, Russia.; Federal Research Center of Fundamental and Translational Medicine, 2 Timakova st., 630117, Novosibirsk, Russia.; Novosibirsk State University, 2 Pirogova st., 630090, Novosibirsk, Russia.; Federal Research Center of Fundamental and Translational Medicine, 2 Timakova st., 630117, Novosibirsk, Russia.; Federal Research Center Institute of Cytology and Genetics SB RAS, 10 acad. Lavrentiev ave., 630090, Novosibirsk, Russia.; Novosibirsk State University, 2 Pirogova st., 630090, Novosibirsk, Russia.; Federal Research Center Institute of Cytology and Genetics SB RAS, 10 acad. Lavrentiev ave., 630090, Novosibirsk, Russia.; Nikolaev Institute of Inorganic Chemistry SB RAS, 3 acad. Lavrentiev ave., 630090, Novosibirsk, Russia.; Novosibirsk State University, 2 Pirogova st., 630090, Novosibirsk, Russia.; Institut Lavoisier de Versailles, CNRS, UVSQ, Université Paris-Saclay, 45 avenue des Etats-Unis, 78035, Versailles, France.; Unité de Chimie Environnementale et Interactions sur le Vivant, (UCEIV, EA 4492), ULCO, 145, Avenue Maurice Schumann, MREI 1, 59140, Dunkerque, France.; Novosibirsk State University, 2 Pirogova st., 630090, Novosibirsk, Russia.; Shihezi University, 280 N 4th Rd, Shihezi, 832000, Xinjiang, P. R. China.; Novosibirsk State University, 2 Pirogova st., 630090, Novosibirsk, Russia.; Nikolaev Institute of Inorganic Chemistry SB RAS, 3 acad. Lavrentiev ave., 630090, Novosibirsk, Russia.; South Ural State University, 76 Lenina st., 454080, Chelyabinsk, Russia.

DOI: 10.1002/chem.202000739

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MeSH Terms: Biological Phenomena, Calorimetry, Magnetic Resonance Spectroscopy, Niobium, Water, gamma-Cyclodextrins