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Inorganics
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Advances in the Domain of Organometallic Antioxidant and Anticancer Agents
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Advances in the Domain of Organometallic Antioxidant and Anticancer Agents

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

Deadline for manuscript submissions: closed (15 September 2023) | Viewed by 8809

Special Issue Editors

Dr. Saad Shaaban

E-Mail Website
Guest Editor
Department of Chemistry, Faculty of Science, King Faisal University, P.O. Box 380, Hofuf 31982, Saudi Arabia
Interests: oxidative stress; synthesis; biology; organoselenium; multicomponent reactions
Dr. Wael Mortada

E-Mail Website
Guest Editor
Urology and Nephrology Center, Mansoura University, Mansoura, Egypt
Interests: microextraction of metal ions; green chemistry; toxicity of metal ions

Special Issue Information

Dear Colleagues,

Organometallic agents have attracted extensive interest in inorganic and medicinal chemistry. The last ten years witnessed the rise of several bioactive organometallic compounds with anticancer and antioxidant activities. The most interesting organometallic compound, cis-platin, was discovered in the late 1970s, and since then many agents have been developed with diverse applications. These include synthetic (e.g., catalysis), medicinal (e.g., anticancer, antimicrobial, and theranostic), and industrial (e.g., polymer production) applications.

In this Special Issue, we wish to cover the most recent advances in the synthesis of organometallic compounds with potential antioxidant and anticancer activities and their underlying mechanism(s) by hosting a mix of original research articles and short critical reviews.

Dr. Saad Shaaban
Dr. Wael Mortada
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. 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

  • organometallic compounds
  • anticancer
  • antioxidants
  • transition metals
  • main group metals
  • ligands
  • organometallic transition metals
  • oxidative stress
  • apoptosis
  • cell cycle

Published Papers (6 papers)

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Research

14 pages, 3667 KiB  
Article
Synthesis, Crystal Structure Analyses, and Antibacterial Evaluation of the Cobalt(II) Complex with Sulfadiazine-Pyrazole Prodrug
by Mezna Saleh Altowyan, Matti Haukka, Mohammed Salah Ayoup, Magda M. F. Ismail, Nagwan G. El Menofy, Saied M. Soliman, Assem Barakat, Mona M. Sharaf, Morsy A. M. Abu-Youssef and Amal Yousri
Inorganics 2023, 11(10), 382; https://doi.org/10.3390/inorganics11100382 - 25 Sep 2023
Viewed by 970
Abstract
The complex [Co(L)(H2O)4](NO3)2 of (E)-4-(2-(3-methyl-5-oxo-1-(pyridin-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-N-(pyrimidin-2-yl)benzenesulfonamide (L) was synthesized via the self-assembly technique. Its molecular and supramolecular structures were analyzed using FTIR, elemental analyses, and single-crystal X-ray [...] Read more.
The complex [Co(L)(H2O)4](NO3)2 of (E)-4-(2-(3-methyl-5-oxo-1-(pyridin-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-N-(pyrimidin-2-yl)benzenesulfonamide (L) was synthesized via the self-assembly technique. Its molecular and supramolecular structures were analyzed using FTIR, elemental analyses, and single-crystal X-ray diffraction, as well as Hirshfeld calculations. This complex crystallized in the triclinic space group P1¯ with Z = 2. The crystallographic asymmetric unit comprised one complex cation and two nitrate counter anions. This complex had distorted octahedral geometry around the Co(II) ion. Numerous intermolecular interactions affecting the molecular packing of this complex were conformed using Hirshfeld investigations. The most significant contacts for the cationic inner sphere [Co(L)(H2O)4]2+ were O···H (38.8%), H···H (27.8%), and N···H (9.9%). On the other hand, the main interactions for the counter NO3¯ ions were the O···H (79.6 and 77.8%), O···N (8.0%), and O···C (9.1%). A high propensity for making interactions for each atom pair in the contacts O…H, N…C, N…H, and C…C was revealed by enrichment ratio values greater than 1. The antibacterial efficacy of the complex and the free ligand were assessed. The free ligand had higher antibacterial activity (MIC = 62.5–125 µg/mL) than the [Co(L)(H2O)4](NO3)2 complex (MIC ≥ 250 µg/mL) versus all the studied bacteria. Full article
(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)
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29 pages, 6482 KiB  
Article
Synthesis of New Organoselenium-Based Succinanilic and Maleanilic Derivatives and In Silico Studies as Possible SARS-CoV-2 Main Protease Inhibitors
by Saad Shaaban, Yasair S. Al-Faiyz, Ghayah M. Alsulaim, Mohamed Alaasar, Nasser Amri, Hussein Ba-Ghazal, Ahmed A. Al-Karmalawy and Aly Abdou
Inorganics 2023, 11(8), 321; https://doi.org/10.3390/inorganics11080321 - 29 Jul 2023
Cited by 16 | Viewed by 1354
Abstract
Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids in good yields (up to 95%). Their structural identities were elucidated by spectroscopic techniques (e.g., IR, 1H- & 13C-NMR, and MS). The ADMET analysis, molecule electrostatic potential map, DFT, [...] Read more.
Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids in good yields (up to 95%). Their structural identities were elucidated by spectroscopic techniques (e.g., IR, 1H- & 13C-NMR, and MS). The ADMET analysis, molecule electrostatic potential map, DFT, and frontier molecular orbital were used to study the organoselenium compounds’ pharmacokinetics, drug-likeness characteristics, geometries, and chemical and electronic properties. Moreover, a molecular docking tool was employed to investigate the organic selenides’ ability to inhibit the SARS-CoV-2 Mpro target (PDB: 7BFB). Within this context, organic selenides exhibited promising binding affinities to the SARS-CoV-2 Mpro receptor in the following order (12 > 11 > 10 > 9 > 7 > 8). Furthermore, molecular dynamics simulations were also carried out for 200 ns to evaluate the exact behavior of the most active compound (12) within the Mpro binding pocket of SARS-CoV-2 compared with its co-crystallized inhibitor (Co). Full article
(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)
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15 pages, 4386 KiB  
Article
Spectroscopic, Anti-Cancer Activity, and DFT Computational Studies of Pt(II) Complexes with 1-Benzyl-3-phenylthiourea and Phosphine/Diamine Ligands
by Dina Saadi Mohamed, Subhi A. Al-Jibori, Reza Behjatmanesh-Ardakani, Ahmed S. Faihan, Tarek A. Yousef, Abdulrahman G. Alhamzani, Mortaga M. Abou-Krisha, Ahmed S. M. Al-Janabi and Benjamin S. Hsiao
Inorganics 2023, 11(3), 125; https://doi.org/10.3390/inorganics11030125 - 16 Mar 2023
Cited by 4 | Viewed by 1558
Abstract
The reaction between [PtCl2(L-L)] (L-L = dppe, dppp, dppb, dppf, Phen and Bipy) or [PtCl2(PPh3)2] with 1-benzyl-3-phenylthiourea (H2BPT) in a basic medium (CHCl3/EtOH) created new coordinated square planner Pt(II) complexes with [...] Read more.
The reaction between [PtCl2(L-L)] (L-L = dppe, dppp, dppb, dppf, Phen and Bipy) or [PtCl2(PPh3)2] with 1-benzyl-3-phenylthiourea (H2BPT) in a basic medium (CHCl3/EtOH) created new coordinated square planner Pt(II) complexes with [Pt(BPT)(L-L)] (1–4,6,7) and [Pt(BPT)(PPh3)2] (5) types. These complexes were fully characterized by analytical and spectroscopic techniques (i.e., IR, UV. Vis., 1H, and 31P NMR). The results indicated that the thiourea derivative ligand act as a dianion ligand bonded through both S and N atoms in a chelating mode or as a mono-anion ligand coordinated through a sulfur atom with Pt(II) ion. Cytotoxicity activity was performed by the MTT assay to determine anti-cancer activities against MCF-7 breast cancer cells. The study indicated that IC50 values for MCF-7 cells were 10.96–78.90 µM. Additionally, the complexes [Pt(BPT)(dppe)] (1), [Pt(BPT)(PPh3)2] (5), and [Pt(BPT)2(Bipy)] (7) were investigated theoretically, where their quantum parameters were evaluated using the Gaussian 09 program using the theory of B3LYP/Def2TZVP//B3LYP/Lanl2dz. The calculation results confirmed the optimized structures of the complexes square planar geometry. However, the calculated bond lengths and angles showed a slightly distorted square planar geometry due to the trans influence of the sulfur atom. Additionally, complexes of [Pt(BPT)(dppe)] (1) and [Pt(BPT)(PPh3)2] (5) showed higher stability compared to [Pt(BPT)2(Bipy)] (7), which can be attributed to the higher back-donation of (1) and (5) complexes. Furthermore, among the three complexes, the [Pt(BPT)2(Bipy)] (7) complex possessed the lowest HOMO–LUMO gap, which may be a good candidate as the photo-catalyst material. Full article
(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)
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19 pages, 3479 KiB  
Article
New Dual Inhibitors of SARS-CoV-2 Based on Metal Complexes with Schiff-Base 4-Chloro-3-Methyl Phenyl Hydrazine: Synthesis, DFT, Antibacterial Properties and Molecular Docking Studies
by Ahmed S. M. Al-Janabi, Amin O. Elzupir, Mortaga M. Abou-Krisha and Tarek A. Yousef
Inorganics 2023, 11(2), 63; https://doi.org/10.3390/inorganics11020063 - 29 Jan 2023
Cited by 8 | Viewed by 1602
Abstract
This paper explores a dual inhibition of main protease (Mpro) and nonstructural protein 10/nonstructural protein 16 (NSP16) methyltransferase complex as the key targets for COVID-19 therapy. These are based on the new Schiff-base ligand that was obtained from the condensation of (4-chloro-3-methyl phenyl) [...] Read more.
This paper explores a dual inhibition of main protease (Mpro) and nonstructural protein 10/nonstructural protein 16 (NSP16) methyltransferase complex as the key targets for COVID-19 therapy. These are based on the new Schiff-base ligand that was obtained from the condensation of (4-chloro-3-methyl phenyl) hydrazine with 2-pyridine-carboxaldehyde and its novel Schiff-base metal complexes. These include Ni(II), Pd(II), Pt(II), Zn(II), and Hg(II). The newly synthesized compounds have been characterized using FT-IR, 1H NMR, 13C NMR, and elemental analysis. The results suggested that the Schiff-base ligand is coordinated as a bidentate ligand through the nitrogen atoms of the azomethine group and pyridyl ring. In addition, the biological activity of the prepared complexes was examined against Pseudomonas aeruginosa and Staphylococcus aureus, and the results showed that the Zn(II) complex has the highest activity compared with other compounds. The active sites were found by looking at the molecular electrostatic potential (MEP) maps of the above ligands and complexes. The activity of the compound and its Ni(II) and Zn(II) complexes against Mpro and NSP10/ NSP16 was investigated using a molecular docking approach. They showed excellent binding energies ranging from −5.9 to −7.2 kcal/mol and −5.8 to −7.2 for Mpro and NSP16, respectively. All conformers of the metal complexes were docked with the active site of the NSP16 receptor, showing a binding affinity of 100%. According to our knowledge, this was the first report of these metal complexes as dual inhibitors for Mpro and NSP16 of SARS-CoV-2. Full article
(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)
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15 pages, 3429 KiB  
Article
Synthesis, DFT and X-ray Studies of Trans CuCl2L2 with L Is (E)-(4-Chlorophenyl)-N-(3-phenyl-4H-1,2,4-triazol-4-yl)methanimine
by Hassan H. Hammud, Moheddine Wehbie, Mohamed M. Abdul-Ghani, Zoltan A. Gal, Malai Haniti Sheikh Abdul Hamid and Nadeem S. Sheikh
Inorganics 2023, 11(1), 18; https://doi.org/10.3390/inorganics11010018 - 31 Dec 2022
Cited by 1 | Viewed by 1270
Abstract
A novel approach was carried to prepare trans-CuCl2L2 complex with the ligand L, (E)-(4-chlorophenyl)-N-(3-phenyl-4H-1,2,4-triazol-4-yl)methanimine which was formed in situ during the reaction of CuCl2 with 4-(4-chlorobenzylideneamino)-5-phenyl-2H-1,2,4-triazole-3(4H)-thione. The synthesized compounds were characterized by applying various spectroscopic techniques. The crystal structure [...] Read more.
A novel approach was carried to prepare trans-CuCl2L2 complex with the ligand L, (E)-(4-chlorophenyl)-N-(3-phenyl-4H-1,2,4-triazol-4-yl)methanimine which was formed in situ during the reaction of CuCl2 with 4-(4-chlorobenzylideneamino)-5-phenyl-2H-1,2,4-triazole-3(4H)-thione. The synthesized compounds were characterized by applying various spectroscopic techniques. The crystal structure of the complex was unambiguously determined using X-ray analysis indicating square planar geometry. Intermolecular H-bonds govern the supramolecular structure of the copper complex. Aromatic rings are stacked in an offset packing due to occurrence of π–π interactions. The structure is further corroborated with a detailed computational investigation. A thione–thiol tautomerism for the triazole compound was also studied. The Schiff base 1,2,4-triazole copper chloride complex is expected to have high anticancer activity. Full article
(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)
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14 pages, 1915 KiB  
Article
Organoselenocyanates Tethered Methyl Anthranilate Hybrids with Promising Anticancer, Antimicrobial, and Antioxidant Activities
by Batool Al-Abdallah, Yasair S. Al-Faiyz and Saad Shaaban
Inorganics 2022, 10(12), 246; https://doi.org/10.3390/inorganics10120246 - 07 Dec 2022
Cited by 3 | Viewed by 1355
Abstract
Novel methyl anthranilate-based organoselenocyanate hybrids were developed, and their structures were confirmed by the state-of-the-art spectroscopic techniques. Their antimicrobial potency was estimated against various microbial strains (e.g., Candida albicans, Escherichia coli, and Staphylococcus aureus). The S. aureus and C. albicans strains [...] Read more.
Novel methyl anthranilate-based organoselenocyanate hybrids were developed, and their structures were confirmed by the state-of-the-art spectroscopic techniques. Their antimicrobial potency was estimated against various microbial strains (e.g., Candida albicans, Escherichia coli, and Staphylococcus aureus). The S. aureus and C. albicans strains were more sensitive than E. coli toward the organoselenocyanates. Interestingly, the azoic derivatives 4 and 9, methyl ester 6, and phenoxy acetamide 15 showed promising antimicrobial activity. Moreover, the antitumor potential was estimated against liver and breast carcinomas, as well as primary fibroblasts. Interestingly, the anticancer properties were more pronounced in the HepG2 cells. The organoselenocyanates 4, 6, 9, 10, and 15 showed interesting anti-HepG2 cytotoxic patterns. Additionally, organoselenocyanates 3, 4, and 10 exhibited promising antioxidant activities in the 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid and 2,2-diphenyl-1-picrylhydrazyl in vitro assays compared to ascorbic acid. These data point to promising antimicrobial, anticancer, and antioxidant activities of organoselenocyanates 6, 9, and 15 warrant further studies. Full article
(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)
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