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Inorganics
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Metal-Based Compounds: Relevance for the Biomedical Field
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Metal-Based Compounds: Relevance for the Biomedical Field

A special issue of Inorganics (ISSN 2304-6740). This special issue belongs to the section "Bioinorganic Chemistry".

Deadline for manuscript submissions: closed (15 September 2024) | Viewed by 12004

Special Issue Editors

Dr. Tamara Topala

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Guest Editor
Department of Inorganic Chemistry, Faculty of Pharmacy, “Iuliu-Hațieganu” University of Medicine and Pharmacy, 400012 Cluj-Napoca, Romania
Interests: chemistry of transition metal complexes; nanoparticles as drug delivery systems; antitumor activity
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Luminita Simona Oprean

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Department of Inorganic Chemistry, Faculty of Pharmacy, “Iuliu-Hațieganu” University of Medicine and Pharmacy, 400012 Cluj-Napoca, Romania
Interests: transition metal chemistry; biomolecules interactions; antitumor activity
Special Issues, Collections and Topics in MDPI journals
Dr. Andreea Elena Bodoki

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Guest Editor
Department of Inorganic Chemistry, Faculty of Pharmacy, “Iuliu-Hațieganu” University of Medicine and Pharmacy, 400012 Cluj-Napoca, Romania
Interests: bioinorganic chemistry; nanotechnology; molecular imprinting
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The exciting research fields of Bioinorganic chemistry and Inorganic medicinal chemistry are in full expansion, providing new perspectives regarding the interaction of inorganic compounds with biological matrixes and their potential as therapeutic and diagnosis agents. Metal complexes, especially those containing transition metal ions, are valuable platforms for drug design and have proven their biological properties many times over, with important progress being made in obtaining new compounds with antitumor, antibacterial, antiviral and antifungal activity.

This Inorganics Special issue wishes to provide an overview on the current topics of interest in Inorganic chemistry with a focus on bioactive compounds. Original research articles as well as reviews are welcome, with the aim to highlight recent advances concerning the following issues:

  • The role of metal ions in biological environments
  • Synthesis, phisico-chemical characterization of metal complexes and evaluation of their biological and therapeutic potential
  • The interaction of coordination and organometallic compounds with biological macromolecules, such as nucleic acids and proteins
  • Coordination compounds as metallo-enzymes mimics
  • Metallic and metal oxide nanoparticles as therapeutic and diagnosis agents

Dr. Tamara Topala
Prof. Dr. Luminita Simona Oprean
Dr. Andreea Elena Bodoki
Guest Editors

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Inorganics is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • transition metal complexes
  • biomolecules interactions
  • enzyme mimics
  • therapeutic platforms
  • diagnosis agents
  • biological activity

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Related Special Issue

Published Papers (9 papers)

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Research

17 pages, 4385 KiB  
Article
Structural and Biological Comparative Studies on M(II)-Complexes (M = Co, Mn, Cu, Ni, Zn) of Hydrazone-s-Triazine Ligand Bearing Pyridyl Arm
by Mezna Saleh Altowyan, Ayman El-Faham, MennaAllah Hassan, Assem Barakat, Matti Haukka, Morsy A. M. Abu-Youssef, Saied M. Soliman and Amal Yousri
Inorganics 2024, 12(10), 268; https://doi.org/10.3390/inorganics12100268 - 14 Oct 2024
Viewed by 478
Abstract
The molecular and supramolecular structures of some M(II) complexes (M = Co, Mn, Cu, Ni, Zn) with a hydrazone-s-triazine ligand (BMPyTr) were discussed based on single crystal X-ray diffraction (SCXRD), Hirshfeld and DFT analyses. A new Co(II) complex [...] Read more.
The molecular and supramolecular structures of some M(II) complexes (M = Co, Mn, Cu, Ni, Zn) with a hydrazone-s-triazine ligand (BMPyTr) were discussed based on single crystal X-ray diffraction (SCXRD), Hirshfeld and DFT analyses. A new Co(II) complex of the same ligand was synthesized and its structure was confirmed to be [Co(BMPyTr)Cl2]·H2O based on FTIR and UV–Vis spectra, elemental analysis and SCXRD. The geometry around Co(II) was a distorted square pyramidal configuration (τ5 = 0.4), where Co(II) ion is coordinated to one NNN-tridentate ligand (BMPyTr) and two Cl- ions. A Hirshfeld analysis indicated all potential contacts within the crystal structure, where the percentages of O⋯H, N⋯H, C⋯H, and H⋯H contacts in one unit were 11.2, 9.3, 11.4, and 45.9%, respectively, while the respective values for the other complex unit were 10.3, 8.8, 10.6, and 48.0%. According to DFT calculations, the presence of strongly coordinating anions, such as Cl-, in addition to the large metal ion size, were found to be the main reasons for the small M-BMPyTr interaction energies in the cases of [Mn(BMPyTr)Cl2] (260.79 kcal/mol) and [Co(BMPyTr)Cl2]·H2O (307.46 kcal/mol) complexes. Interestingly, the Co(II) complex had potential activity against both Gram-positive (S. aureus and B. subtilis) and Gram-negative (E. coli and P. vulgaris) bacterial strains with inhibition zone diameters of 13, 15, 16, and 18 mm, respectively. Also, the new [Co(BMPyTr)Cl2]·H2O (IC50 = 131.2 ± 6.8 μM) complex had slightly better cytotoxic activity against HCT-116 cell line compared to BMPyTr (145.3 ± 7.1 μM). Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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20 pages, 1823 KiB  
Article
Synthesis, Copper(II) Binding, and Antifungal Activity of Tertiary N-Alkylamine Azole Derivatives
by Teresa Pissarro, Cláudia Malta-Luís, Luana Ferreira, Catarina Pimentel and Luís M. P. Lima
Inorganics 2024, 12(9), 242; https://doi.org/10.3390/inorganics12090242 - 5 Sep 2024
Viewed by 503
Abstract
The rise in antifungal resistance among medically important fungi causing severe infectious diseases has underscored the urgent need for developing more effective antifungal agents. Growing evidence suggests that compounds combining functional antifungal groups with metals are promising candidates and may well be the [...] Read more.
The rise in antifungal resistance among medically important fungi causing severe infectious diseases has underscored the urgent need for developing more effective antifungal agents. Growing evidence suggests that compounds combining functional antifungal groups with metals are promising candidates and may well be the key to addressing this global challenge. In this work, a range of new azole-containing tertiary amine compounds were prepared from three N-alkylamine azole skeletons appended with a 2,4-dihalogenobenzene function and one of the five different metal-binding motifs pyridine, quinoline, 8-hydroxyquinoline, 2-methoxyphenol, and 4-bromophenol. The copper(II) binding of these azole compounds was studied by spectrophotometric titrations in buffered aqueous medium to determine the metal binding equilibria and to comparatively characterize the copper(II)-binding ability of the compounds. The activity of all compounds against the opportunistic fungal pathogen Candida glabrata was also evaluated, allowing us to draw important conclusions about structure–activity relationships that will guide the future design of more effective metal-binding antifungal compounds. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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25 pages, 5074 KiB  
Article
Evaluation of DNA and BSA-Binding, Nuclease Activity, and Anticancer Properties of New Cu(II) and Ni(II) Complexes with Quinoline-Derived Sulfonamides
by Tamara Liana Topală, Ionel Fizeşan, Andreea-Elena Petru, Alfonso Castiñeiras, Andreea Elena Bodoki, Luminița Simona Oprean, Marcos Escolano and Gloria Alzuet-Piña
Inorganics 2024, 12(6), 158; https://doi.org/10.3390/inorganics12060158 - 1 Jun 2024
Cited by 2 | Viewed by 785
Abstract
Four complexes of essential metal ions, Cu(II) and Ni(II), with the new sulfonamide ligand N-(pyridin-2-ylmethyl)quinoline-8-sulfonamide (HQSMP) were synthesized and physicochemically and structurally characterized. Complex [Cu(QSMP)Cl]n (2) consists of a polymeric chain formed by distorted square pyramidal units. In 2 [...] Read more.
Four complexes of essential metal ions, Cu(II) and Ni(II), with the new sulfonamide ligand N-(pyridin-2-ylmethyl)quinoline-8-sulfonamide (HQSMP) were synthesized and physicochemically and structurally characterized. Complex [Cu(QSMP)Cl]n (2) consists of a polymeric chain formed by distorted square pyramidal units. In 2, the sulfonamide ligand acts as a bridge coordinating to one Cu(II) through its three N atoms and to another metal ion via one O atom in the sulfonamido group, while the pentacoordinate complex [Cu(QSMP)(C6H5COO)] (3) presents a highly distorted square pyramidal geometry. Complex [Ni(QSMP)(C6H5COO)(CH3OH)][Ni(QSMP)(CH3COO)(CH3OH)] (4) consists of two mononuclear entities containing different anion coligands, either a benzoate or an acetate group. Both units exhibit a distorted octahedral geometry. The interaction of the complexes with CT-DNA was studied by means of UV-Vis and fluorescence spectroscopy, interestingly revealing that the Ni(II) complex presents the highest affinity towards the nucleic acid. Complexes 1 and 2 are able to cleave DNA. Both compounds show promising nuclease activity at relatively low concentrations by mediating the production of a reactive oxygen species (ROS). The interaction of the four complexes with bovine serum albumin (BSA) was also investigated, showing that the compounds can bind to serum proteins. The antitumor potential of complexes 1 and 2 was evaluated against the A549 lung adenocarcinoma cell line, revealing cytotoxic properties that were both dose- and time-dependent. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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17 pages, 3676 KiB  
Article
Coordination Compounds of Nickel(II) with 3,5–Dibromo–Salicylaldehyde: Structure and Interaction with Biomolecules
by Georgios I. Psarras, Ariadni Zianna, Antonios G. Hatzidimitriou and George Psomas
Inorganics 2024, 12(5), 138; https://doi.org/10.3390/inorganics12050138 - 10 May 2024
Viewed by 1024
Abstract
Three neutral nickel(II) complexes of 3,5–dibromo–salicylaldehyde (3,5–diBr–saloH) were synthesized in the presence or absence of 1,10–phenanthroline (phen) or its derivative 2,9–dimethyl–1,10–phenanthroline (neoc) as co–ligands, namely [Ni(3,5–diBr–salo)2(neoc)] (complex 1), [Ni(3,5–diBr–salo)2(phen)] (complex 2) and [Ni(3,5–diBr–salo)2(H2O) [...] Read more.
Three neutral nickel(II) complexes of 3,5–dibromo–salicylaldehyde (3,5–diBr–saloH) were synthesized in the presence or absence of 1,10–phenanthroline (phen) or its derivative 2,9–dimethyl–1,10–phenanthroline (neoc) as co–ligands, namely [Ni(3,5–diBr–salo)2(neoc)] (complex 1), [Ni(3,5–diBr–salo)2(phen)] (complex 2) and [Ni(3,5–diBr–salo)2(H2O)2] (complex 3), and were characterized by various techniques. The crystal structure of [Ni(3,5–diBr–salo)2(neoc)] was determined by single-crystal X-ray crystallography. According to employed studying techniques, the complexes interact tightly with calf-thymus DNA by an intercalative fashion. Furthermore, compounds 1–3 bind tightly and reversibly to human and bovine serum albumin. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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24 pages, 8466 KiB  
Article
‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies
by Subham Banik, Trishnajyoti Baishya, Rosa M. Gomila, Antonio Frontera, Miquel Barcelo-Oliver, Akalesh K. Verma, Jumi Das and Manjit K. Bhattacharyya
Inorganics 2024, 12(4), 111; https://doi.org/10.3390/inorganics12040111 - 9 Apr 2024
Cited by 2 | Viewed by 1342
Abstract
Two new metal–organic multi-component compounds of Ni(II) and Co(II), viz. [Ni(3-CNpy)2(H2O)4]ADS·2.75H2O (1) and [Co(3-CNpy)2(H2O)4](4-ClbzSO3)2 (2) (3-CNpy = 3-cyanopyridine, ADS = anthraquinone-1,5-disulfonate, 4-ClbzSO [...] Read more.
Two new metal–organic multi-component compounds of Ni(II) and Co(II), viz. [Ni(3-CNpy)2(H2O)4]ADS·2.75H2O (1) and [Co(3-CNpy)2(H2O)4](4-ClbzSO3)2 (2) (3-CNpy = 3-cyanopyridine, ADS = anthraquinone-1,5-disulfonate, 4-ClbzSO3 = 4-chlorobenzenesulfonate), were synthesized and characterized using single crystal XRD, TGA, spectroscopic (IR, electronic) and elemental analyses. Both the compounds crystallize as multi-component compounds of Ni(II) and Co(II), with uncoordinated ADS and 4-ClbzSO3 moieties in the crystal lattice, respectively. Crystal structure analyses revealed the presence of antiparallel nitrile···nitrile and π-stacked assemblies involving alternate coordinated 3-CNpy and uncoordinated ADS and 4-ClbzSO3 moieties. Moreover, unconventional charge reverse Cl∙∙∙N halogen bonding contacts observed in compound 2 provide additional reinforcement to the crystal structure. Theoretical calculations confirm that the H-bonding interactions, along with anion–π(arene) and anion–π(CN) in 1 and π–π, antiparallel CN···CN and charge reverse Cl···N halogen bonds in 2, play crucial roles in the solid state stability of the compounds. In vitro anticancer activities observed through the trypan blue cell cytotoxicity assay reveal that the compounds induce significant concentration dependent cytotoxicity in Dalton’s lymphoma (DL) cancer cells, with nominal effects in normal healthy cells. Molecular docking studies reveal that the compounds can effectively bind with the active sites of anti-apoptotic proteins, which are actively involved in cancer progression. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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12 pages, 1637 KiB  
Article
Synthesis, Structure, and Biological Activity of the Germanium Dioxide Complex Compound with 2-Amino-3-Hydroxybutanoic Acid
by Alena V. Kadomtseva, Georgy M. Mochalov, Maria A. Zasovskaya and Anatoly M. Ob’edkov
Inorganics 2024, 12(3), 83; https://doi.org/10.3390/inorganics12030083 - 7 Mar 2024
Viewed by 1599
Abstract
Currently, a promising direction of study is the use of biologically active coordination compounds in the pharmacopoeia and the creation of effective bactericidal drugs, biomaterials, and enzyme modulators on that basis. The paper considers a coordination germanium compound with 2-amino-3-hydroxybutanoic acid. The prospects [...] Read more.
Currently, a promising direction of study is the use of biologically active coordination compounds in the pharmacopoeia and the creation of effective bactericidal drugs, biomaterials, and enzyme modulators on that basis. The paper considers a coordination germanium compound with 2-amino-3-hydroxybutanoic acid. The prospects for the use of the compound in medicine are outlined. This work is aimed at solving the problems regarding the synthesis of biologically active compounds with a wide spectrum of actions. The structure and composition of the coordination compound have been established through calculation and experimental methods. The biocidal (bactericidal and fungicidal) activity of germanium-containing compounds against a number of bacteria and microscopic fungi has been studied. Using the quantum-chemical method with density functional theory (DFT, B3LYP/6–311++G(2d,2p)), the theoretical IR spectrum of the compound was calculated. The structure of the coordination compound and the structure of the intermediates at all stages of the synthesis process were established by calculation. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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21 pages, 5733 KiB  
Article
Comparative Solution Equilibrium Studies on Anticancer Estradiol-Based Conjugates and Their Copper Complexes
by Éva A. Enyedy, Anett Giricz, Tatsiana V. Petrasheuskaya, János P. Mészáros, Nóra V. May, Gabriella Spengler, Ferenc Kovács, Barnabás Molnár and Éva Frank
Inorganics 2024, 12(2), 49; https://doi.org/10.3390/inorganics12020049 - 1 Feb 2024
Viewed by 1877
Abstract
Steroids are often considered valuable molecular tools for the development of anticancer agents with improved pharmacological properties. Conjugation of metal chelating moieties with a lipophilic sterane backbone is a viable option to obtain novel anticancer compounds. In this work, two estradiol-based hybrid molecules [...] Read more.
Steroids are often considered valuable molecular tools for the development of anticancer agents with improved pharmacological properties. Conjugation of metal chelating moieties with a lipophilic sterane backbone is a viable option to obtain novel anticancer compounds. In this work, two estradiol-based hybrid molecules (PMA-E2 and DMA-E2) with an (N,N,O) binding motif and their Cu(II) complexes were developed. The lipophilicity, solubility, and acid-base properties of the novel ligands were determined by the combined use of UV-visible spectrophotometry, pH-potentiometry, and 1H NMR spectroscopy. The solution speciation and redox activity of the Cu(II) complexes were also investigated by means of UV-visible and electron paramagnetic resonance spectroscopy. Two structurally analogous ligands (PMAP and DMAP) were also included in the studies for better interpretation of the solution chemical data obtained. Three pKa values were determined for all ligands, revealing the order of the deprotonation steps: pyridinium-NH+ or NH(CH3)2+, secondary NH2+, and OH. The dimethylamine derivatives (DMA-E2, DMAP) are found in their H2L+ forms in solution at pH 7.4, whereas the fraction of the neutral HL species is significant (34–37%) in the case of the pyridine nitrogen-containing derivatives (PMA-E2, PMAP). Both estradiol derivatives were moderately cytotoxic in human breast (MCF-7) and colon adenocarcinoma (Colo-205) cells (IC50 = 30–63 μM). They form highly stable complexes with Cu(II) ions capable of oxidizing ascorbate and glutathione. These Cu(II) complexes are somewhat more cytotoxic (IC50 = 15–45 μM) than their corresponding ligands and show a better selectivity profile. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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18 pages, 3179 KiB  
Article
Benzimidazol-2-ylidene Silver Complexes: Synthesis, Characterization, Antimicrobial and Antibiofilm Activities, Molecular Docking and Theoretical Investigations
by Uğur Tutar, Cem Çelik, Elvan Üstün, Namık Özdemir, Neslihan Şahin, David Sémeril, Nevin Gürbüz and İsmail Özdemir
Inorganics 2023, 11(10), 385; https://doi.org/10.3390/inorganics11100385 - 27 Sep 2023
Cited by 2 | Viewed by 1622
Abstract
Five silver(I) complexes, namely chloro[1-methallyl-3-benzyl)benzimidazol-2-ylidene] silver (6), chloro[1-methallyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver (7), chloro[1-methallyl-3-(3,4,5-trimethoxylbenzyl)benzimidazol-2-ylidene]silver (8), chloro[1-methallyl- 3-(naphthylmethyl)benzimidazol-2-ylidene]silver (9), and chloro [1-methallyl-3-(anthracen-9-yl- methyl)benzimidazol-2-ylidene]silver (10), were prepared starting from their corresponding benzimidazolium salts and silver oxide in 71–81% yields. [...] Read more.
Five silver(I) complexes, namely chloro[1-methallyl-3-benzyl)benzimidazol-2-ylidene] silver (6), chloro[1-methallyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver (7), chloro[1-methallyl-3-(3,4,5-trimethoxylbenzyl)benzimidazol-2-ylidene]silver (8), chloro[1-methallyl- 3-(naphthylmethyl)benzimidazol-2-ylidene]silver (9), and chloro [1-methallyl-3-(anthracen-9-yl- methyl)benzimidazol-2-ylidene]silver (10), were prepared starting from their corresponding benzimidazolium salts and silver oxide in 71–81% yields. A single-crystal X-ray structure of 7 was determined. These five Ag-NHC complexes were evaluated for their antimicrobial and biofilm formation inhibition properties. Complex 10 exhibited high antimicrobial activities comparable to those obtained with standard drugs such as Fluconazole in contact with Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Acinetobacter baumannii, and Candida albicans. The latter complex has been shown to be very efficient in antibiofilm activity, with 92.9% biofilm inhibition at 1.9 μg/mL on Escherichia coli. Additionally, the molecules were optimized with DFT-based computational methods for obtaining insight into the structure/reactivity relations through the relative energies of the frontier orbitals. The optimized molecules were also analyzed by molecular docking method against DNA gyrase of Escherichia coli and CYP51 from Candida albicans. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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11 pages, 3302 KiB  
Article
Neutral W(V) Complexes Featuring the W2O2(µ-O)2 Core and Amino Acids or EDTA Derivatives as Ligands: Synthesis and Structural Characterization
by Hristo P. Varbanov, Ferdinand Belaj, Toma Glasnov, Simon Herbert, Thomas Brumby and Nadia C. Mösch-Zanetti
Inorganics 2023, 11(3), 114; https://doi.org/10.3390/inorganics11030114 - 9 Mar 2023
Viewed by 1742
Abstract
Multinuclear complexes of heavy metals, such as tungsten, have demonstrated considerable potential as candidates for advanced radiocontrast agents. Of particular interest is the development of stable non-ionic compounds with high metal content and reasonably low osmolality in solution. Accordingly, we have synthesized a [...] Read more.
Multinuclear complexes of heavy metals, such as tungsten, have demonstrated considerable potential as candidates for advanced radiocontrast agents. Of particular interest is the development of stable non-ionic compounds with high metal content and reasonably low osmolality in solution. Accordingly, we have synthesized a series of neutral W(V) complexes that contain the W2O2(µ-O)2 core and amino acids or disubstituted EDTA derivatives as ligands. The compounds were prepared from the oxalatotungstate(V) complex via a convenient procedure utilizing microwave heating. Their detailed characterization was accomplished by electrospray ionization high-resolution mass spectrometry (ESI-HRMS), 1H and 13C NMR spectroscopy, elemental analysis, and X-ray crystallography. Further experiments to evaluate the utility of the complexes as radiocontrast media were precluded by their poor aqueous solubility. Full article
(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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