Guanidinium and spermidinium decavanadates: as small biomimetic models to understand non-covalent interactions between decavanadate and arginine and lysine side chains in proteins

Frontiers in Chemical Biology, Journal Year: 2024, Volume and Issue: 3

Published: Aug. 12, 2024

During the last three decades, numerous investigations have been conducted on polyoxidovanadates to treat several illnesses and inhibit enzymes. Numerous decavanadate compounds proposed as potential therapies for Diabetes mellitus, Cancer, Alzheimer’s disease. Only six relevant functional proteins interacting with decavanadate, V 10 , deposited in PDB. These are acid phosphatase, tyrosine kinase, two ecto-nucleoside triphosphate diphosphohydrolases (NTPDases), human transient receptor cation channel (TRPM4), cell cycle protein CksHs1. The interaction sites these mainly consist of Arginine Lysine, side chains binding anion. To get further knowledge regarding non-covalent interactions environments, guanidinium spermidinium decavanadates were synthesized, crystallized, subjected analysis utilizing various techniques, including FTIR, Raman, 51 V-NMR, TGA, X-ray diffraction. DFT calculations employed calculate energy between anion organic counterions. Furthermore, Quantum Theory Atoms Molecules (QTAIM) Non-covalent Interaction-Reduced Density Gradient (NCI-RDG) analyses understand present adducts. Decavanadate can engage electrostatic forces, van der Waals, hydrogen bond spermidinium, shown by their respective energies. Both highly stabilized strong N−H···O weak C−H···O. In addition, cations form stable rings. This study provides new information intermolecular small biomimetic models arginine lysine lateral environments.

Language: Английский

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Editorial: Emerging polyoxometalates with biological, biomedical, and health applications

Frontiers in Chemistry, Journal Year: 2022, Volume and Issue: 10

Published: Aug. 9, 2022

EDITORIAL article Front. Chem., 09 August 2022Sec. Inorganic Chemistry https://doi.org/10.3389/fchem.2022.977317

Language: Английский

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Multi-Ce^III-Inserted Phospho(III)tungstate Containing Three Building Units with Prominent Peroxidase-Mimicking Activity for Detecting l-Cysteine

Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 62(26), P. 10351 - 10358

Published: June 21, 2023

An attractive isonicotinic acid-ornamented octa-CeIII-inserted phospho(III)tungstate [H2N(CH3)2]6Na8[Ce8(H2O)30W8Na2O20(INA)4][HPIIIW4O17]2[HPIIIW9O33]4·30H2O (1-Ce) (HINA = acid) has been isolated through the deliberately designed one-step assembly strategy, in which HPO32- heteroanion template was introduced into Ce3+/WO42- system presence of HINA. The polyoxoanion 1-Ce consists two identical [Ce4(H2O)15W4NaO10(INA)2][HPIIIW4O17][HPIIIW9O33]2}7- subunits linked by Ce-O-W bonds. exhibits three kinds polyoxotungstate building blocks [W4NaO20(INA)2]17-, [HPIIIW4O17]6-, and [HPIIIW9O33]8-, [W4NaO20(INA)2]17- [HPIIIW4O17]6- units can be considered as seeds driven coordination additional Ce3+ ions to induce aggregation [HPIIIW9O33]8- fragments. Furthermore, possesses high peroxidase-like activity oxidize 3,3',5,5'-tetramethylbenzidine H2O2 with a turnover rate 6.20 × 10-3 s-1. Because l-cysteine (l-Cys) reduce oxTMB TMB, detection l-Cys established based on 1-Ce-based colorimetric biosensing platform linear range 5-100 μM limit 4.28 μM. This work not only expand scientific research studies chemistry materials rare-earth-inserted polyoxotungstates but also provide practical application possibility clinical diagnosis using liquid biopsy.

Language: Английский

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Water-Soluble Polyoxometal Clusters of Molybdenum (V) with Pyrazole and Triazole: Synthesis and Study of Cytotoxicity and Antiviral Activity

Molecules, Journal Year: 2023, Volume and Issue: 28(24), P. 8079 - 8079

Published: Dec. 14, 2023

Among well-studied and actively developing compounds are polyoxometalates (POMs), which show application in many fields. Extending this class of compounds, we introduce a new subclass polyoxometal clusters (POMCs) [Mo12O28(μ-L)8]4- (L = pyrazolate (pz) or triazolate (1,2,3-trz 1,2,4-trz)), structurally similar to POM, but containing binuclear Mo2O4 linked by bridging oxo- organic ligands. The complexes obtained ampoule synthesis from the cluster [Mo2O4(C2O4)2(H2O)2]2- melt an ligand soluble stable aqueous solutions. In addition detailed characterization solid state solution, biological properties on normal cancer cells were investigated, antiviral activity against influenza A virus (subtype H5N1) was demonstrated.

Language: Английский

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Effects of the tetravanadate [V4O12]4− anion on the structural, magnetic, and biological properties of copper/phenanthroline complexes

JBIC Journal of Biological Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 29(1), P. 139 - 158

Published: Jan. 4, 2024

Abstract The aim to access linked tetravanadate [V 4 O 12 ] 4− anion with mixed copper(II) complexes, using α -amino acids and phenanthroline-derived ligands, resulted in the formation of four complexes [Cu(dmb)(Gly)(OH 2 )] [Cu(dmb)(Gly)] ]·9H ( 1 ) [Cu(dmb)(Lys)] ]·8H ), [Cu(dmp) ][V ]·C H 5 OH·11H 3 [Cu(dmp)(Gly)Cl]·2H where dmb = 4,4′-dimethioxy-2,2′-bipyridine; Gly glycine; Lys lysine; dmp 2,9-dimethyl-1,10-phenanthroline. is functionalized units ; while , it acts as a counterion two [Cu(dmp)] 2+ units. Compound crystallized unit that did not incorporate vanadium cluster. All compounds present magnetic couplings arising from Cu⋯O/Cu⋯Cu bridges. Stability studies water-soluble by UV–Vis spectroscopy cell culture medium confirmed robustness appears undergo ligand scrambling over time, resulting partially stable species + was also identified electrospray ionization mass spectrometry at m / z 479. vitro cytotoxicity activity determined six cancer lines; healthy line COS-7 included for comparative purposes. MCF-7 cells were more sensitive compound an IC 50 value ± 1.2 nmol. tested show lipid peroxidation TBARS assay, ruling out mechanism action via reactive oxygen formation. Both inhibited migration µM wound-healing assays MCF-7, PC-3, SKLU-1 lines, opening new window study anti-metastatic effect vanadium–copper(II) systems. Graphical abstract

Language: Английский

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