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Molecules
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Coordination Compounds in Medicinal Chemistry: Past, Present and Perspectives
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Coordination Compounds in Medicinal Chemistry: Past, Present and Perspectives

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

Deadline for manuscript submissions: closed (30 September 2023) | Viewed by 11247

Special Issue Editors

Dr. Priscila Pereira Silva-Caldeira

E-Mail Website
Guest Editor
Departamento de Química, Centro Federal de Educação Tecnológica de Minas Gerais, Avenida Amazonas 5253, Belo Horizonte 30421-169, MG, Brazil
Interests: coordination compounds; anticancer activity; drug delivery; nanoparticles
Dr. Wendell Guerra

E-Mail Website
Guest Editor
Instituto de Química, Universidade Federal de Uberlândia, Campus Santa Mônica, Uberlândia 38400-902, MG, Brazil
Interests: antimicrobial and anticancer activity; synthesis; spectral characterization; coordination compounds; tuberculosis; t.cruzi

Special Issue Information

Dear Colleagues,

Nowadays, the considerable interest in the design and synthesis of metal complexes is due, in part, to their remarkable biological properties, especially their anticancer and antimicrobial activities. This interest arose from the discovery of the antitumor properties of cisplatin, as well as the success of drugs based on bismuth and silver in the treatment of infections caused by bacteria.

Despite the great success involving metal-based drugs in clinical treatment, the cellular resistances to antimicrobial and anticancer drugs are current global challenges that significantly affect public health and justify the research for new metal-based agents. In addition, dedicated efforts to understanding the mechanisms of action of metal-based drugs and their cellular resistance pathways open new perspectives for the design of safer and more effective metallodrugs.

Considering this, in this Special Issue of Molecules, we invite you to present papers (original or review) that concern the study of the antimicrobial and anticancer activities of metal complexes, both experimental and theoretical. Research works that involve other biological properties of metal complexes are also welcome. 

Dr. Priscila Pereira Silva-Caldeira
Dr. Wendell Guerra
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

  • metal-based drugs
  • synthesis
  • antimicrobial activity
  • antitumoral activity
  • mechanism of action
  • structure–activity relationship
  • bacterial resistance

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Published Papers (3 papers)

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Research

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21 pages, 1662 KiB  
Article
Disparities in Cisplatin-Induced Cytotoxicity—A Meta-Analysis of Selected Cancer Cell Lines
by Małgorzata Ćwiklińska-Jurkowska, Małgorzata Wiese-Szadkowska, Sabina Janciauskiene and Renata Paprocka
Molecules 2023, 28(15), 5761; https://doi.org/10.3390/molecules28155761 - 30 Jul 2023
Cited by 3 | Viewed by 2736
Abstract
Cisplatin is a classic anticancer drug widely used as a reference drug to test new metal complex drug candidates. We found an unexpected diversity in cisplatin-related cytotoxicity values, expressed as IC50 (the half-maximal inhibitory concentration) in tumour cell lines, such as MCF-7, [...] Read more.
Cisplatin is a classic anticancer drug widely used as a reference drug to test new metal complex drug candidates. We found an unexpected diversity in cisplatin-related cytotoxicity values, expressed as IC50 (the half-maximal inhibitory concentration) in tumour cell lines, such as MCF-7, HepG2 and HeLa. We reviewed the data published from 2018 to 2022. A total of 41 articles based on 56 in vitro experiments met our eligibility criteria. Using a meta-analysis based on a random effect model, we evaluated the cytotoxicity of cisplatin (IC50) after 48- or 72-h cell exposure. We found large differences between studies using a particular cell line. According to the random effect model, the 95% confidence intervals for IC50 were extremely wide. The heterogeneity of cisplatin IC50, as measured by the I2 index for all cancer cell lines, was over 99.7% at culture times of 48 or 72 h. Therefore, the variability between studies is due to experimental heterogeneity rather than chance. Despite the higher IC50 values after 48 h than after 72 h, the heterogeneity between the two culture periods did not differ significantly. This indicates that the duration of cultivation is not the main cause of heterogeneity. Therefore, the available data is diverse and not useful as a reference. We discuss possible reasons for the IC50 heterogeneity and advise researchers to conduct preliminary testing before starting experiments and not to solely rely on the published data. We hope that this systematic meta-analysis will provide valuable information for researchers searching for new cancer drugs using cisplatin as a reference drug. Full article
(This article belongs to the Special Issue Coordination Compounds in Medicinal Chemistry: Past, Present and Perspectives)
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23 pages, 4619 KiB  
Article
Spectroscopical and Molecular Studies of Four Manganese(I) PhotoCORMs with Bioinspired Ligands Containing Non-Coordinated Phenol Groups
by Matheus S. S. Paqui, Vinícius A. Glitz, Daniele C. Durigon, André L. Amorim, Giovanni F. Caramori, Renato L. T. Parreira, Adailton J. Bortoluzzi, Fernando R. Xavier and Rosely A. Peralta
Molecules 2023, 28(8), 3439; https://doi.org/10.3390/molecules28083439 - 13 Apr 2023
Cited by 1 | Viewed by 2053
Abstract
Carbonyl compounds are widely explored in medicinal inorganic chemistry and have drawn attention due to their signaling functions in homeostasis. Carbon-monoxide-releasing molecules (CORMs) were developed with the purpose of keeping the CO inactive until its release in the intracellular environment, considering its biological [...] Read more.
Carbonyl compounds are widely explored in medicinal inorganic chemistry and have drawn attention due to their signaling functions in homeostasis. Carbon-monoxide-releasing molecules (CORMs) were developed with the purpose of keeping the CO inactive until its release in the intracellular environment, considering its biological relevance. However, for therapeutic applications, the mechanisms of photorelease and which electronic and structural variations influence its rates must be fully understood. In this work, four ligands containing a pyridine, a secondary amine, and a phenolic group with different substituents were used to prepare new Mn(I) carbonyl compounds. Structural and physicochemical characterization of these complexes was carried out and confirmed the proposed structures. X-ray diffractometry structures obtained for the four organometallic compounds revealed that the substituents in the phenolic ring promote only negligible distortions in their geometry. Furthermore, UV-Vis and IR kinetics showed the direct dependence of the electron-withdrawing or donating ability of the substituent group, indicating an influence of the phenol ring on the CO release mechanism. These differences in properties were also supported by theoretical studies at the DFT, TD-DFT, and bonding situation analyses (EDA-NOCV). Two methods were used to determine the CO release constants (kCO,old and kCO,new), where Mn-HbpaBr (1) had the greatest kCO by both methods (Kco,old = 2.36 × 10−3 s−1 and kCO,new = 2.37 × 10−3 s−1). Carbon monoxide release was also evaluated using the myoglobin assay, indicating the release of 1.248 to 1.827 carbon monoxides upon light irradiation. Full article
(This article belongs to the Special Issue Coordination Compounds in Medicinal Chemistry: Past, Present and Perspectives)
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Review

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30 pages, 4233 KiB  
Review
Biological Activities of Bismuth Compounds: An Overview of the New Findings and the Old Challenges Not Yet Overcome
by Jânia dos Santos Rosário, Fábio Henrique Moreira, Lara Hewilin Fernandes Rosa, Wendell Guerra and Priscila Pereira Silva-Caldeira
Molecules 2023, 28(15), 5921; https://doi.org/10.3390/molecules28155921 - 7 Aug 2023
Cited by 21 | Viewed by 5635
Abstract
Bismuth-based drugs have been used primarily to treat ulcers caused by Helicobacter pylori and other gastrointestinal ailments. Combined with antibiotics, these drugs also possess synergistic activity, making them ideal for multiple therapy regimens and overcoming bacterial resistance. Compounds based on bismuth have a [...] Read more.
Bismuth-based drugs have been used primarily to treat ulcers caused by Helicobacter pylori and other gastrointestinal ailments. Combined with antibiotics, these drugs also possess synergistic activity, making them ideal for multiple therapy regimens and overcoming bacterial resistance. Compounds based on bismuth have a low cost, are safe for human use, and some of them are also effective against tumoral cells, leishmaniasis, fungi, and viruses. However, these compounds have limited bioavailability in physiological environments. As a result, there is a growing interest in developing new bismuth compounds and approaches to overcome this challenge. Considering the beneficial properties of bismuth and the importance of discovering new drugs, this review focused on the last decade’s updates involving bismuth compounds, especially those with potent activity and low toxicity, desirable characteristics for developing new drugs. In addition, bismuth-based compounds with dual activity were also highlighted, as well as their modes of action and structure–activity relationship, among other relevant discoveries. In this way, we hope this review provides a fertile ground for rationalizing new bismuth-based drugs. Full article
(This article belongs to the Special Issue Coordination Compounds in Medicinal Chemistry: Past, Present and Perspectives)
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