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IJMS
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Metal-Organic and Organometallic Compounds Targeting Intracellular Components Inducing Apoptosis
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Metal-Organic and Organometallic Compounds Targeting Intracellular Components Inducing Apoptosis

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Biochemistry".

Deadline for manuscript submissions: closed (30 May 2023) | Viewed by 4201

Special Issue Editors

Prof. Dr. Sotiris K Hadjikakou

E-Mail Website
Guest Editor
Section of Inorganic and Analytical Chemistry, Department of Chemistry, University of Ioannina, 451 10 Ioannina, Greece
Interests: crystal structure; structure determination; material characterization; structural chemistry; biological inorganic chemistry, antimicrobial compounds; antiproliferative compounds
Special Issues, Collections and Topics in MDPI journals
Dr. Christina N. Banti

E-Mail Website
Guest Editor
Section of Inorganic and Analytical Chemistry, Department of Chemistry, University of Ioannina, 451 10 Ioannina, Greece
Interests: biological inorganic chemistry; anticancer metallodrugs; antibacterial metallodrugs
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue of the journal IJMS entitled “Metal-organic and organometallic compounds targeting intracellular components inducing apoptosis" will cover a selection of recent research and review articles in the field of the development of new targeted metallodrugs for cancer chemotherapy.

The development of novel metallo-drugs by targeting specific intracellular biomolecules (proteins, DNA, etc.) or intracellular organelles (mitochondrion, membranes, etc.) is a new strategy for new chemotherapeutics designing with high selectivity and low side effects. For this, the understanding of how metal-based compounds interact with and affect cellular systems is important. The effects of the potential metallo-drugs on cellular signal-transduction pathways, elucidates the mechanism of apoptosis induction in cells.

The research in this field brings together stakeholders from different disciplines, including chemists, biologists, pharmacists, etc. The reader of this Special Issue will gain an appreciation of the real role of metal-organic and organometallic compounds targeting intracellular components inducing apoptosis.

Prof. Dr. Sotiris K Hadjikakou
Dr. Christina N. Banti
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.

Published Papers (3 papers)

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Research

23 pages, 3533 KiB  
Article
Towards Arginase Inhibition: Hybrid SAR Protocol for Property Mapping of Chlorinated N-arylcinnamamides
by Andrzej Bak, Jiri Kos, Gilles Degotte, Aleksandra Swietlicka, Tomas Strharsky, Dominika Pindjakova, Tomas Gonec, Adam Smolinski, Pierre Francotte, Michel Frederich, Violetta Kozik and Josef Jampilek
Int. J. Mol. Sci. 2023, 24(4), 3611; https://doi.org/10.3390/ijms24043611 - 10 Feb 2023
Viewed by 1042
Abstract
A series of seventeen 4-chlorocinnamanilides and seventeen 3,4-dichlorocinnamanilides were characterized for their antiplasmodial activity. In vitro screening on a chloroquine-sensitive strain of Plasmodium falciparum 3D7/MRA-102 highlighted that 23 compounds possessed IC50 < 30 µM. Typically, 3,4-dichlorocinnamanilides showed a broader range of activity [...] Read more.
A series of seventeen 4-chlorocinnamanilides and seventeen 3,4-dichlorocinnamanilides were characterized for their antiplasmodial activity. In vitro screening on a chloroquine-sensitive strain of Plasmodium falciparum 3D7/MRA-102 highlighted that 23 compounds possessed IC50 < 30 µM. Typically, 3,4-dichlorocinnamanilides showed a broader range of activity compared to 4-chlorocinnamanilides. (2E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)prop-2-en-amide with IC50 = 1.6 µM was the most effective agent, while the other eight most active derivatives showed IC50 in the range from 1.8 to 4.6 µM. A good correlation between the experimental logk and the estimated clogP was recorded for the whole ensemble of the lipophilicity generators. Moreover, the SAR-mediated similarity assessment of the novel (di)chlorinated N-arylcinnamamides was conducted using the collaborative (hybrid) ligand-based and structure-related protocols. In consequence, an ‘averaged’ selection-driven interaction pattern was produced based in namely ‘pseudo–consensus’ 3D pharmacophore mapping. The molecular docking approach was engaged for the most potent antiplasmodial agents in order to gain an insight into the arginase-inhibitor binding mode. The docking study revealed that (di)chlorinated aromatic (C-phenyl) rings are oriented towards the binuclear manganese cluster in the energetically favorable poses of the chloroquine and the most potent arginase inhibitors. Additionally, the water-mediated hydrogen bonds were formed via carbonyl function present in the new N-arylcinnamamides and the fluorine substituent (alone or in trifluoromethyl group) of N-phenyl ring seems to play a key role in forming the halogen bonds. Full article
(This article belongs to the Special Issue Metal-Organic and Organometallic Compounds Targeting Intracellular Components Inducing Apoptosis)
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14 pages, 1747 KiB  
Article
Antiproliferative Activity of Antibiotics through DNA Binding Mechanism: Evaluation and Molecular Docking Studies
by Alexandros-Dimitrios C. Magklaras, Christina N. Banti and Sotiris K. Hadjikakou
Int. J. Mol. Sci. 2023, 24(3), 2563; https://doi.org/10.3390/ijms24032563 - 29 Jan 2023
Cited by 3 | Viewed by 1401
Abstract
The antiproliferative activity of three antibiotics clinically use, was studied through DNA inhibition mechanisms, ex vivo, in silico and in vitro. The ex vivo interaction of DNA with ciprofloxacin hydrochloride (CIP·HCl), penicillin G sodium salt (PEN·Na), and tetracycline hydrochloride [...] Read more.
The antiproliferative activity of three antibiotics clinically use, was studied through DNA inhibition mechanisms, ex vivo, in silico and in vitro. The ex vivo interaction of DNA with ciprofloxacin hydrochloride (CIP·HCl), penicillin G sodium salt (PEN·Na), and tetracycline hydrochloride (TC·HCl) was determined by UV-Vis spectra and viscosity measurements. Furthermore, their binding constants (Kb) toward CT-DNA were calculated (Kb = (2.8 ± 0.6) × 104 (CIP·HCl), (0.4 ± 0.1) × 104 (PEN·Na) and (6.9 ± 0.3) × 104 (TC·HCl) Μ−1). Docking studies on the binding interactions of antibiotics with DNA were performed to rationalize the ex vivo results. The in vitro antiproliferative activity of the antibiotics was evaluated against human breast adenocarcinoma (MCF-7) cells (IC50 values: 417.4 ± 28.2 (CIP·HCl), >2000 (PEN·Na) and 443.1 ± 17.2 (TC·HCl) μΜ). Cell cycle arrest studies confirmed the apoptotic type of MCF-7 cells. The toxicity of the studied agents was in vitro tested against human fetal lung fibroblast cells (MRC-5). The results are compared with the corresponding one for doxorubicin (DOX). Despite their low binding affinity to DNA (Kb) or their different mode of interaction, TC·HCl (anthracycline) or CIP·HCl (quinolones), exhibit notable antiproliferative activity and low toxicity. Full article
(This article belongs to the Special Issue Metal-Organic and Organometallic Compounds Targeting Intracellular Components Inducing Apoptosis)
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18 pages, 4366 KiB  
Article
Effect of the Synthetic Approach on the Formation and Magnetic Properties of Iron-Based Nanophase in Branched Polyester Polyol Matrix
by Artur Khannanov, Anastasia Burmatova, Klara Ignatyeva, Farit Vagizov, Airat Kiiamov, Dmitrii Tayurskii, Mikhail Cherosov, Alexander Gerasimov, Evtugyn Vladimir and Marianna Kutyreva
Int. J. Mol. Sci. 2022, 23(23), 14764; https://doi.org/10.3390/ijms232314764 - 25 Nov 2022
Cited by 5 | Viewed by 1198
Abstract
This article shows the success of using the chemical reduction method, the polyol thermolytic process, the sonochemistry method, and the hybrid sonochemistry/polyol process method to design iron-based magnetically active composite nanomaterials in a hyperbranched polyester polyol matrix. Four samples were obtained and characterized [...] Read more.
This article shows the success of using the chemical reduction method, the polyol thermolytic process, the sonochemistry method, and the hybrid sonochemistry/polyol process method to design iron-based magnetically active composite nanomaterials in a hyperbranched polyester polyol matrix. Four samples were obtained and characterized by transmission and scanning electron microscopy, infrared spectroscopy and thermogravimetry. In all cases, the hyperbranched polymer is an excellent stabilizer of the iron and iron oxides nanophase. In addition, during the thermolytic process and hybrid method, the branched polyol exhibits the properties of a good reducing agent. The use of various approaches to the synthesis of iron nanoparticles in a branched polyester polyol matrix makes it possible to control the composition, geometry, dispersity, and size of the iron-based nanophase and to create new promising materials with colloidal stability, low hemolytic activity, and good magnetic properties. The NMR relaxation method proved the possibility of using the obtained composites as tomographic probes. Full article
(This article belongs to the Special Issue Metal-Organic and Organometallic Compounds Targeting Intracellular Components Inducing Apoptosis)
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