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The Role of Metal Ions in Bio-Inorganic Chemistry

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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Inorganic Chemistry".

Deadline for manuscript submissions: closed (30 November 2023) | Viewed by 11498

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Special Issue Editors

Dr. Aleksandra Kotynia

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Guest Editor

Department of Inorganic Chemistry, Wroclaw Medical University, Borowska 211A, 50-556 Wroclaw, Poland
Interests: coordination chemistry; divalent metal ions; peptide ligands; thermodynamic and structural character of metal ions/ligand interaction; studies of antioxidant properties; equilibrium in solutions; supeoxide dysmutase (SOD) activity

Dr. Aleksandra Marciniak

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Guest Editor

Department of Inorganic Chemistry, Wroclaw Medical University, Borowska 211A, 50-556 Wroclaw, Poland
Interests: coordination chemistry; bioinorganic chemistry; peptide complexes; proteins and their interactions with pharmaceuticals; spectroscopic methods

Dr. Andrea Bencini

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Guest Editor

Department of Chemistry, University of Florence, Via della Lastruccia, 3-13, 50019 Sesto Fiorentino, Firenze, Italy
Interests: synthetic inorganic chemistry; coordination chemistry; polyamine ligands; anion coordination; supramolecular chemistry; weak interactions; coordination of toxic metals and anions; reactive oxygen species (ROS); ROS generation/scavenging by metals and their complexes
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Bioinorganic chemistry has been a huge field of science for many years, but it is still continuing to develop and gathering an increasing amount of interest. The base knowledge of homeostasis of macro- and microelements has allowed us to understand the many biological mechanisms on a molecular level. Metal ions can influence an organism in many ways, both positively and negatively. Further expanding our knowledge in bioinorganic chemistry is important in the progress of medicine and pharmacy.

Therefore, we cordially invite researchers interested in this field of science to publish their manuscripts in a Special Issue entitled “The Role of Metal Ions in Bio-Inorganic Chemistry”. We look forward to chemical, physical, biological, and also multidisciplinary articles connected with metal ion studies. This Special Issue focuses on the following topics: transport and storage of metal ions in the living organism, mechanism of redox reactions, interaction and complexation of metal ions by molecules, peptides, and proteins, metabolism pathway of metallodrugs, metalloenzymes and their mimics, bioorganometallic compounds, metal ions in medicine, metal ion toxicity, and all subjects related to the described research area.

Dr. Aleksandra Kotynia
Dr. Aleksandra Marciniak
Dr. Andrea Bencini
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

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. Molecules is an international peer-reviewed open access semimonthly 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

transport and storage of metal ions in living organisms
mechanism of redox reactions
metal ion complexation
metalloenzymes
bioorganometallic chemistry
metal ions in medicine
metal ion toxicity

Published Papers (6 papers)

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Research

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12 pages, 1876 KiB

Open AccessArticle

Chemical Modification of Auranofin Yields a New Family of Anticancer Drug Candidates: The Gold(I) Phosphite Analogues

by Damiano Cirri, Andrea Geri, Lara Massai, Michele Mannelli, Tania Gamberi, Francesca Magherini, Matteo Becatti, Chiara Gabbiani, Alessandro Pratesi and Luigi Messori

Molecules 2023, 28(3), 1050; https://doi.org/10.3390/molecules28031050 - 20 Jan 2023

Cited by 3 | Viewed by 1881

Abstract

A panel of four novel gold(I) complexes, inspired by the clinically established gold drug auranofin (1-Thio-β-D-glucopyranosatotriethylphosphine gold-2,3,4,6-tetraacetate), was prepared and characterized. All these compounds feature the replacement of the triethylphosphine ligand of the parent compound auranofin with a trimethylphosphite ligand. The linear coordination around the gold(I) center is completed by Cl⁻, Br⁻, I⁻ or by the thioglucose tetraacetate ligand (SAtg). The in-solution behavior of these gold compounds as well as their interactions with some representative model proteins were comparatively analyzed through ³¹PNMR and ESI-MS measurements. Notably, all panel compounds turned out to be stable in aqueous media, but significant differences with respect to auranofin were disclosed in their interactions with a few leading proteins. In addition, the cytotoxic effects produced by the panel compounds toward A2780, A2780R and SKOV-3 ovarian cancer cells were quantitated and found to be in the low micromolar range, since the IC₅₀ of all compounds was found to be between 1 μM and 10 μM. Notably, these novel gold complexes showed large and similar inhibition capabilities towards the key enzyme thioredoxin reductase, again comparable to those of auranofin. The implications of these results for the discovery of new and effective gold-based anticancer agents are discussed. Full article

(This article belongs to the Special Issue The Role of Metal Ions in Bio-Inorganic Chemistry)

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11 pages, 1430 KiB

Open AccessArticle

Concentrations of Transition Metal Ions in Rat Lungs after Tobacco Smoke Exposure and Treatment with His-Leu Dipeptide

by Marta Szukalska, Tomasz Frączyk, Ewa Florek and Leszek Pączek

Molecules 2023, 28(2), 628; https://doi.org/10.3390/molecules28020628 - 07 Jan 2023

Viewed by 2324

Abstract

Tobacco smoking is deleterious to the lungs because it exposes them to many toxic substances. These include transition metal ions, such as cadmium. However, there is a lack of information about the influence of endogenous metal-binding peptides, such as His-Leu (HL), on the lung distribution of transition metals in smokers. To address this, we administered HL subcutaneously to rats exposed to tobacco smoke for six weeks, then we measured the concentrations of transition metal ions in the lungs. We found that exposure to tobacco smoke elevates the concentrations of Cd(II) and Cu(II). Administration of the HL peptide, whose elevation is a consequence of angiotensin receptor blocker anti-hypertension therapy, increases the concentration of Fe in the lungs of rats exposed to smoke. These findings suggest that smoking is a risk factor for patients receiving angiotensin receptor blockers to treat hypertension. Full article

(This article belongs to the Special Issue The Role of Metal Ions in Bio-Inorganic Chemistry)

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16 pages, 877 KiB

Open AccessArticle

Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase

by Hao Jiang, Oskar K. G. Svensson and Ulf Ryde

Molecules 2023, 28(1), 65; https://doi.org/10.3390/molecules28010065 - 21 Dec 2022

Cited by 4 | Viewed by 1433

Abstract

We have calculated redox potentials of the two metal clusters in Mo-nitrogenase with quantum mechanical (QM) calculations. We employ an approach calibrated for iron–sulfur clusters with 1–4 Fe ions, involving QM-cluster calculations in continuum solvent and large QM systems (400–500 atoms), based on structures from combined QM and molecular mechanics (QM/MM) geometry optimisations. Calculations on the P-cluster show that we can reproduce the experimental redox potentials within 0.33 V. This is similar to the accuracy obtained for the smaller clusters, although two of the redox reactions involve also proton transfer. The calculated P¹⁺/P^N redox potential is nearly the same independently of whether P¹⁺ is protonated or deprotonated, explaining why redox titrations do not show any pH dependence. For the FeMo cluster, the calculations clearly show that the formal oxidation state of the cluster in the resting E₀ state is

{Mo}^{III} {Fe}_{3}^{II} {Fe}_{4}^{III}

, in agreement with previous experimental studies and QM calculations. Moreover, the redox potentials of the first five E₀–E₄ states are nearly constant, as is expected if the electrons are delivered by the same site (the P-cluster). However, the redox potentials are insensitive to the formal oxidation states of the Fe ion (i.e., whether the added protons bind to sulfide or Fe ions). Finally, we show that the later (E₄–E₈) states of the reaction mechanism have redox potential that are more positive (i.e., more exothermic) than that of the E₀/E₁ couple. Full article

(This article belongs to the Special Issue The Role of Metal Ions in Bio-Inorganic Chemistry)

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17 pages, 4140 KiB

Open AccessArticle

Sequence–Activity Relationship of ATCUN Peptides in the Context of Alzheimer’s Disease

by Margot Lefèvre, Kyangwi P. Malikidogo, Charlène Esmieu and Christelle Hureau

Molecules 2022, 27(22), 7903; https://doi.org/10.3390/molecules27227903 - 15 Nov 2022

Cited by 3 | Viewed by 1554

Abstract

Amino-terminal Cu^II and Ni^II (ATCUN) binding sequences are widespread in the biological world. Here, we report on the study of eight ATCUN peptides aimed at targeting copper ions and stopping the associated formation of reactive oxygen species (ROS). This study was actually more focused on Cu(Aβ)-induced ROS production in which the Aβ peptide is the “villain” linked to Alzheimer’s disease. The full characterization of Cu^II binding to the ATCUN peptides, the Cu^II extraction from Cu^II(Aβ), and the ability of the peptides to prevent and/or stop ROS formation are described in the relevant biological conditions. We highlighted in this research that all the ATCUN motifs studied formed the same thermodynamic complex but that the addition of a second histidine in position 1 or 2 allowed for an improvement in the Cu^II uptake kinetics. This kinetic rate was directly related to the ability of the peptide to stop the Cu^II(Aβ)-induced production of ROS, with the most efficient motifs being HWHG and HGHW. Full article

(This article belongs to the Special Issue The Role of Metal Ions in Bio-Inorganic Chemistry)

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13 pages, 4218 KiB

Open AccessArticle

Ni(II) Ions May Target the Entire Melatonin Biosynthesis Pathway—A Plausible Mechanism of Nickel Toxicity

by Nina E. Wezynfeld, Arkadiusz M. Bonna, Dawid Płonka, Wojciech Bal and Tomasz Frączyk

Molecules 2022, 27(17), 5582; https://doi.org/10.3390/molecules27175582 - 30 Aug 2022

Cited by 5 | Viewed by 1444

Abstract

Nickel is toxic to humans. Its compounds are carcinogenic. Furthermore, nickel allergy is a severe health problem that affects approximately 10–20% of humans. The mechanism by which these conditions develop remains unclear, but it may involve the cleavage of specific proteins by nickel ions. Ni(II) ions cleave the peptide bond preceding the Ser/Thr-Xaa-His sequence. Such sequences are present in all four enzymes of the melatonin biosynthesis pathway, i.e., tryptophan 5-hydroxylase 1, aromatic-l-amino-acid decarboxylase, serotonin N-acetyltransferase, and acetylserotonin O-methyltransferase. Moreover, fragments prone to Ni(II) are exposed on surfaces of these proteins. Our results indicate that all four studied fragments undergo cleavage within tens of hours at pH 8.2 and 37 °C, corresponding with the conditions in the mitochondrial matrix. Since melatonin, a potent antioxidant and anti-inflammatory agent, is synthesized within the mitochondria of virtually all human cells, depleting its supply may be detrimental, e.g., by raising the oxidative stress level. Intriguingly, Ni(II) ions have been shown to mimic hypoxia through the stabilization of HIF-1α protein, but melatonin prevents the action of HIF-1α. Considering all this, the enzymes of the melatonin biosynthesis pathway seem to be a toxicological target for Ni(II) ions. Full article

(This article belongs to the Special Issue The Role of Metal Ions in Bio-Inorganic Chemistry)

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Review

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29 pages, 2612 KiB

Open AccessReview

Bioinorganic Chemistry of Micronutrients Related to Alzheimer’s and Parkinson’s Diseases

by Arian Kola, Federico Nencioni and Daniela Valensin

Molecules 2023, 28(14), 5467; https://doi.org/10.3390/molecules28145467 - 17 Jul 2023

Cited by 5 | Viewed by 2088

Abstract

Metal ions are fundamental to guarantee the regular physiological activity of the human organism. Similarly, vitamins play a key role in many biological functions of the metabolism, among which are coenzymes, redox mediators, and antioxidants. Due to their importance in the human organism, both metals and vitamins have been extensively studied for their involvement in neurodegenerative diseases (NDs). However, the full potential of the interaction between vitamins and metal ions has not been fully explored by researchers yet, and further investigation on this topic is needed. The aim of this review is to provide an overview of the scientific literature on the implications of vitamins and selected metal ions in two of the most common neurodegenerative diseases, Alzheimer’s and Parkinson’s disease. Furthermore, vitamin–metal ion interactions are discussed in detail focusing on their bioinorganic chemistry, with the perspective of arousing more interest in this fascinating bioinorganic field. Full article

(This article belongs to the Special Issue The Role of Metal Ions in Bio-Inorganic Chemistry)

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