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Pharmaceuticals
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Recent Advances and Future Approaches in Preventive and Therapeutic Effects...
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Special Issue "Recent Advances and Future Approaches in Preventive and Therapeutic Effects of Vanadium Complexes"

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 29 December 2023 | Viewed by 579

Special Issue Editors

Dr. Monika A. Papież

E-Mail Website
Guest Editor
Department of Cytobiology, Faculty of Pharmacy, Jagiellonian University Medical College, 30-688 Kraków, Poland
Interests: vanadium complexes; plant compounds; anticancer agents; acute leukemia
Dr. Wirginia Krzyściak

E-Mail Website
Guest Editor
Department of Medical Diagnostics, Medical College, Jagiellonian University, 31-688 Kraków, Poland
Interests: metabolic activity of the brain's diseases like neuropsychiatric, stroke; redox signaling, tooth decay, biostatistics, biomaterials; composites; drug delivery systems
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Vanadium is a trace element of interest due to the therapeutic properties of its organic and inorganic complexes. Vanadium can have a Lewis acid character and occurs in a variety of oxidative states, the most common of which are the tetravalent and pentavalent forms. Its high reactivity is used to form various inorganic and organic compounds. Because transition metal compounds can reduce toxicity and improve bioavailability of free organic ligands and the elements themselves, they are being investigated for applications in the treatment of many diseases. Vanadium is characterized by nephrotoxicity, as demonstrated in in vivo studies. Therefore, metallodrugs with less toxicity than the element itself are sought in vanadium complexes, especially organic ones.

Vanadium complexes may have potential therapeutic applications in the treatment of type 2 diabetes, cancer or infection diseases. Vanadium's activity mimics that of phosphates, so it can modify the action of kinases and phosphatases, which explains its antidiabetic, anticancer, cardioprotective, and antimicrobial effects.

This Special Issue aims to present research on new vanadium complexes with protective effects against metabolic disorders, with antidiabetic or antiobesity activity. Work on other potential therapeutic applications of vanadium compounds, such as anticancer, antimicrobial, cardioprotective, and neuroprotective properties not yet demonstrated in research, will also be well received.

Dr. Monika A. Papież
Dr. Wirginia Krzyściak
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. Pharmaceuticals 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 2900 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

  • vanadium compounds
  • antidiabetic, insulinomimetic
  • antiobesity
  • anticancer
  • antimicrobial
  • cardioprotective
  • neuroprotective

Published Papers (1 paper)

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Research

14 pages, 3305 KiB  
Article
MD Simulations to Calculate NMR Relaxation Parameters of Vanadium(IV) Complexes: A Promising Diagnostic Tool for Cancer and Alzheimer’s Disease
by
Rodrigo Mancini Santos
,
Camila Assis Tavares
,
Taináh Martins Resende Santos
,
Hassan Rasouli
and
Teodorico Castro Ramalho
Pharmaceuticals 2023, 16(12), 1653; https://doi.org/10.3390/ph16121653 - 27 Nov 2023
Viewed by 301
Abstract
Early phase diagnosis of human diseases has still been a challenge in the medicinal field, and one of the efficient non-invasive techniques that is vastly used for this purpose is magnetic resonance imaging (MRI). MRI is able to detect a wide range of [...] Read more.
Early phase diagnosis of human diseases has still been a challenge in the medicinal field, and one of the efficient non-invasive techniques that is vastly used for this purpose is magnetic resonance imaging (MRI). MRI is able to detect a wide range of diseases and conditions, including nervous system disorders and cancer, and uses the principles of NMR relaxation to generate detailed internal images of the body. For such investigation, different metal complexes have been studied as potential MRI contrast agents. With this in mind, this work aims to investigate two systems containing the vanadium complexes [VO(metf)2]·H2O (VC1) and [VO(bpy)2Cl]+ (VC2), being metformin and bipyridine ligands of the respective complexes, with the biological targets AMPK and ULK1. These biomolecules are involved in the progression of Alzheimer’s disease and triple-negative breast cancer, respectively, and may act as promising spectroscopic probes for detection of these diseases. To initially evaluate the behavior of the studied ligands within the aforementioned protein active sites and aqueous environment, four classical molecular dynamics (MD) simulations including VC1 + H2O (1), VC2 + H2O (2), VC1 + AMPK + H2O (3), and VC2 + ULK1 + H2O (4) were performed. From this, it was obtained that for both systems containing VCs and water only, the theoretical calculations implied a higher efficiency when compared with DOTAREM, a famous commercially available contrast agent for MRI. This result is maintained when evaluating the system containing VC1 + AMPK + H2O. Nevertheless, for the system VC2 + ULK1 + H2O, there was observed a decrease in the vanadium complex efficiency due to the presence of a relevant steric hindrance. Despite that, due to the nature of the interaction between VC2 and ULK1, and the nature of its ligands, the study gives an insight that some modifications on VC2 structure might improve its efficiency as an MRI probe. Full article
(This article belongs to the Special Issue Recent Advances and Future Approaches in Preventive and Therapeutic Effects of Vanadium Complexes)
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