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Self-assembled palladium(II) metallacycles bearing imidazole motifs: Synthesis, characterization, and their in vitro cytotoxicity evaluation
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-08 DOI: 10.1016/j.ica.2025.122638
Saurabh Kumar , Kanisha Kar , Mukesh Kumar Singh , Arpita Chandra , Neeladri Das
{"title":"Self-assembled palladium(II) metallacycles bearing imidazole motifs: Synthesis, characterization, and their in vitro cytotoxicity evaluation","authors":"Saurabh Kumar ,&nbsp;Kanisha Kar ,&nbsp;Mukesh Kumar Singh ,&nbsp;Arpita Chandra ,&nbsp;Neeladri Das","doi":"10.1016/j.ica.2025.122638","DOIUrl":"10.1016/j.ica.2025.122638","url":null,"abstract":"<div><div>Four unique highly charged palladacycles (<strong>Pd1</strong>–<strong>Pd4</strong>) were synthesized in high yield using a linear and rotationally flexible diimidazole donor tecton 4,4′-di(1<em>H</em>-imidazol-1-yl)-1,1′-biphenyl (<strong>L1</strong>) in combination with <em>cis</em>-blocked [Pd(en)(NO<sub>3</sub>)<sub>2</sub>] acceptor and various other rigid pyridyl donors. A combination of NMR (<sup>1</sup>H NMR and <sup>1</sup>H–DOSY), mass spectrometry (MS), and density functional theory (DFT) calculations were used to characterize the metallacycles. Theoretical studies revealed the presence of adequate cavity dimensions in the palladacycles. Literature reviews have shown that strongly coordinating or chelating ligands can stabilize palladium ions, reducing their physiological reactivity while enhancing their anticancer properties. Palladium(II) complexes are reported to exhibit significant cytotoxic effects towards triple negative breast cancer cell line MDA-MB-231. In light of this, the cytotoxicity of synthesized palladacycles (<strong>Pd1</strong>–<strong>Pd4</strong>) was examined. The data revealed that palladacycles (<strong>Pd1</strong>-<strong>Pd4</strong>) exhibited selective cytotoxicity, effectively targeting human triple-negative breast cancer cells (MDA-MB-231) while remaining nontoxic at the same inhibitory concentration (IC<sub>50</sub>) to healthy human embryonic kidney cells (HEK-293). This study shows the utility of <strong>Pd1</strong>–<strong>Pd4</strong> as potential cytotoxic agents. Further, this research opens new avenues for advanced research and clinical trials in the foreseeable future.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122638"},"PeriodicalIF":2.7,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143611663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel Ag(I) and Zn(II) complexes based on benzenesulfonamide ligand: Synthesis, characterization, and biological evaluation as multitarget antidiabetic agents
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-07 DOI: 10.1016/j.ica.2025.122639
Mohammed Salah Ayoup , Mennatallah Yasser , Saied M. Soliman , Hamida Abdel-Hamid , David B. Cordes , Aidan P. McKay , Doaa A. Ghareeb , Ibrahim Elghamry , Samah Ashraf , Amr Sonousi , Asmaa E. Kassab , Amal Yousri
{"title":"Novel Ag(I) and Zn(II) complexes based on benzenesulfonamide ligand: Synthesis, characterization, and biological evaluation as multitarget antidiabetic agents","authors":"Mohammed Salah Ayoup ,&nbsp;Mennatallah Yasser ,&nbsp;Saied M. Soliman ,&nbsp;Hamida Abdel-Hamid ,&nbsp;David B. Cordes ,&nbsp;Aidan P. McKay ,&nbsp;Doaa A. Ghareeb ,&nbsp;Ibrahim Elghamry ,&nbsp;Samah Ashraf ,&nbsp;Amr Sonousi ,&nbsp;Asmaa E. Kassab ,&nbsp;Amal Yousri","doi":"10.1016/j.ica.2025.122639","DOIUrl":"10.1016/j.ica.2025.122639","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Three novel d&lt;sup&gt;10&lt;/sup&gt;-metal complexes of the antidiabetic sulfonamide ligand (&lt;strong&gt;HPPS&lt;/strong&gt;) were synthesized and characterized using elemental analysis, FTIR, NMR spectra, and single-crystal X-ray structure. The two Ag(I) complexes share the common cationic formula [Ag(HPPS)&lt;sub&gt;2&lt;/sub&gt;]&lt;sup&gt;+&lt;/sup&gt;, abbreviated as &lt;strong&gt;[1]&lt;/strong&gt;. The structure of the studied Ag(I) complexes could be represented by the formula &lt;strong&gt;[1]ClO&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;4&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;·2H&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;2&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;O&lt;/strong&gt; and &lt;strong&gt;[1]NO&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;3&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;·CH&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;3&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;CN&lt;/strong&gt;. Both complexes are mononuclear, where Ag(I) is tetra-coordinated with two neutral &lt;strong&gt;HPPS&lt;/strong&gt; units as bidentate ligands &lt;em&gt;via&lt;/em&gt; the pyrazole and pyridine N-atoms. In both cases, the coordination geometry around Ag(I) is a twisted form that is intermediate between tetrahedral and square planar geometry. The Zn(II) complex [Zn&lt;sub&gt;4&lt;/sub&gt;(PPS)&lt;sub&gt;2&lt;/sub&gt;Cl&lt;sub&gt;6&lt;/sub&gt;(H&lt;sub&gt;2&lt;/sub&gt;O)&lt;sub&gt;2&lt;/sub&gt;]·2EtOH, &lt;strong&gt;2&lt;/strong&gt;, is tetra-nuclear in which the Zn(II) ions are tetra- and penta-coordinated. The anionic &lt;strong&gt;PPS&lt;/strong&gt;&lt;sup&gt;&lt;strong&gt;−&lt;/strong&gt;&lt;/sup&gt; ligand acts as a &lt;em&gt;bis&lt;/em&gt;-bidentate ligand, bridging both independent Zn(II) sites, which are then further bridged by chloride ions to adjacent zincs. The synthesized complexes were evaluated for their &lt;em&gt;in vitro&lt;/em&gt; α-glucosidase and α-amylase inhibitory activities and glucose uptake. The results revealed that the synthesized Ag(I) and Zn(II) complexes showed remarkably excellent antidiabetic potential. Interestingly, α-glucosidase and α-amylase inhibitory activities and glucose uptake efficacy of Ag(I) and Zn(II) complexes highly surpassed their free ligand &lt;strong&gt;HPPS&lt;/strong&gt;. Ag(I) complexes(&lt;strong&gt;[1]ClO&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;4&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;·2H&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;2&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;O&lt;/strong&gt; and &lt;strong&gt;[1]NO&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;3&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;·CH&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;3&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;CN)&lt;/strong&gt; and Zn(II) complex (&lt;strong&gt;2)&lt;/strong&gt; showed excellent inhibitory potential against α-glucosidase with IC&lt;sub&gt;50&lt;/sub&gt; values of 3.68, 5.22, and 3.93 μM, respectively (2.13, 1.5, and 2 times more potent than acarbose). Ag(I) complex, &lt;strong&gt;[1]ClO&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;4&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;·2H&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;2&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;O&lt;/strong&gt; and Zn(II) complex, &lt;strong&gt;2&lt;/strong&gt; (IC&lt;sub&gt;50&lt;/sub&gt; values of 2.78 and 4.93 μM) exhibited significant α-amylase inhibitory potential, 4.8- and 2.7- fold more potent than acarbose. Ag(I) and Zn(II) complexes showed 3.38- to 3.89-fold more glucose uptake efficacy than berberine with EC&lt;sub&gt;50&lt;/sub&gt; values of 12.01, 11.15, and 10.45 μM, for &lt;strong&gt;[1]ClO&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;4&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;·2H&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;2&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;O, [1]NO&lt;/strong&gt;&lt;sub&gt;&lt;strong&gt;3&lt;/strong&gt;&lt;/sub&gt;&lt;strong&gt;·CH&lt;/strong","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"582 ","pages":"Article 122639"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143706074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and structural characterization of two novel cyano/isocyano bridged CuI coordination polymers: Catalytic activities in the synthesis of triazoles
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-07 DOI: 10.1016/j.ica.2025.122637
Hadi Kargar , Roberto Centore , Mehdi Fallah-Mehrjardi , Emanuela Santagat , Emmanuele Parisi , Khurram Shahzad Munawar
{"title":"Synthesis and structural characterization of two novel cyano/isocyano bridged CuI coordination polymers: Catalytic activities in the synthesis of triazoles","authors":"Hadi Kargar ,&nbsp;Roberto Centore ,&nbsp;Mehdi Fallah-Mehrjardi ,&nbsp;Emanuela Santagat ,&nbsp;Emmanuele Parisi ,&nbsp;Khurram Shahzad Munawar","doi":"10.1016/j.ica.2025.122637","DOIUrl":"10.1016/j.ica.2025.122637","url":null,"abstract":"<div><div>In the present study, two novel polymeric copper(I) cyanide/isocyanide complexes with <em>N,N</em>′-bidentate Schiff base ligands (<strong>[Cu(<em>L</em></strong><sup><strong><em>Br</em></strong></sup><strong>)CN]</strong><sub><strong>n</strong></sub> and <strong>[Cu(<em>L</em></strong><sup><strong><em>Cl</em></strong></sup><strong>)CN]</strong><sub><strong>n</strong></sub>) were successfully synthesized and characterized by employing FT-IR and elemental analysis. The single-crystal X-ray diffraction (SC-XRD) analysis was used to figure out the geometrical properties of the complexes, and the results showed that the copper ions are attached to N atoms of Schiff base ligands. The bond angles surrounding the Cu(I) ions revealed the distorted tetrahedral geometry of the complexes. Furthermore, the catalytic ability of these complexes was evaluated in the synthesis of triazoles under a conventional thermal environment.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122637"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143611661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unusual phenolphthalein-based fluorescent sensors for medium-selective multi-ions sensing in real samples
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-07 DOI: 10.1016/j.ica.2025.122641
Abdullah Saleh Hussein , Ferruh Lafzi , Sinan Bayindir , Mahmut Toprak
{"title":"Unusual phenolphthalein-based fluorescent sensors for medium-selective multi-ions sensing in real samples","authors":"Abdullah Saleh Hussein ,&nbsp;Ferruh Lafzi ,&nbsp;Sinan Bayindir ,&nbsp;Mahmut Toprak","doi":"10.1016/j.ica.2025.122641","DOIUrl":"10.1016/j.ica.2025.122641","url":null,"abstract":"<div><div>This study aimed to synthesize unusual phenolphthalein-based probes (PPs) and explore their photochemical properties. Synthesized PPs were investigated for their interactions with various ions in aqueous solutions using UV–Vis and fluorescence spectroscopy. <strong>PP1</strong> exhibited turn-on fluorescence responses to Al<sup>3+</sup>, Cd<sup>2+</sup>, and Zn<sup>2+</sup> ions at pH 7, while <strong>PP2</strong> responded specifically to Zn<sup>2+</sup> ions. Notably, pH-dependent selectivity was observed for <strong>PP1</strong>, with Al<sup>3+</sup> and Zn<sup>2+</sup> ions triggering turn-on responses at pH 5 and 9, respectively. Limit of detection (LOD) values and association constants (Kₐ) were determined for these interactions. Additionally, reversible on/off switching behavior was demonstrated for <strong>PP1</strong>/<strong>PP2</strong> upon alternate addition of AlCl₃/ZnCl₂ and [Bu₄N]OH. The effectiveness of PPs for real-world sample analysis was confirmed. Furthermore, the PP2-Cd<sup>2+</sup> complex exhibited irreversible binding with cyanide and thiocyanide ions.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122641"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
From cobalt(II), nickel(II) and copper(II) (2-thio)barbiturates to their imidazole-based complex salts: Synthesis, structure, physicochemical and biological properties
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-07 DOI: 10.1016/j.ica.2025.122643
Alexander P. Lakeev , Taisiya S. Sukhikh , Alena G. Korzhova , Olga Yu. Rybalkina , Evgeny E. Buyko , Natalia M. Korotchenko , Irina A. Kurzina
{"title":"From cobalt(II), nickel(II) and copper(II) (2-thio)barbiturates to their imidazole-based complex salts: Synthesis, structure, physicochemical and biological properties","authors":"Alexander P. Lakeev ,&nbsp;Taisiya S. Sukhikh ,&nbsp;Alena G. Korzhova ,&nbsp;Olga Yu. Rybalkina ,&nbsp;Evgeny E. Buyko ,&nbsp;Natalia M. Korotchenko ,&nbsp;Irina A. Kurzina","doi":"10.1016/j.ica.2025.122643","DOIUrl":"10.1016/j.ica.2025.122643","url":null,"abstract":"<div><div>A series of metal(II) complexes based on 1,3-diazinane-2,4,6-trione (H<sub>2</sub>BA, C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>O<sub>3</sub>) or 2-sulfanylidene-1,3-diazinane-4,6-dione (H<sub>2</sub>TBA, C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>O<sub>2</sub>S) with the formula [M(H<sub>2</sub>O)<sub>4</sub>(HBA)<sub>2</sub>] (<strong>1</strong>, <strong>2</strong>), [Cu(H<sub>2</sub>O)<sub>3</sub>(HBA)<sub>2</sub>] (<strong>3</strong>) and [M(H<sub>2</sub>O)<sub>2</sub>(HTBA)<sub>2</sub>] (<strong>4</strong>, <strong>5</strong>) (M = Co, Ni) were synthesized. These compounds were then used to obtain novel complex salts [M(H<sub>2</sub>O)<sub><em>m</em></sub>(Im)<sub><em>n</em></sub>](H(T)BA)<sub>2</sub> · <em>p</em>H<sub>2</sub>O (<em>m</em> = 0 or 2, <em>n</em> = 4 or 6, <em>p</em> = 0, 2 or 4) and [Cu(H<sub>2</sub>O)(Im)<sub>4</sub>](HBA)<sub>2</sub> · 3H<sub>2</sub>O, where Im is 1<em>H</em>-imidazole (C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>). The isolated products were characterized using elemental analysis, FT-IR spectroscopy, XRD and TG–DSC. Complexes <strong>1–5</strong> were slightly soluble in water (–log<em>K</em><sub>sp</sub> ranged from 5.10 for <strong>5</strong> to 7.45 for <strong>4</strong>) and started to undergo oxidative degradation at 220–300 °C. The presence of [MH(T)BA]<sup>+</sup> species in acidic solutions was revealed, and their β<sub>11</sub> values, which varied within a range of ∼2–3 log units, were determined using the solubility method and pH-metry. Metal(II) imidazole complexes, with some exceptions, were more soluble than <strong>1–5</strong>, but their decomposition started to occur at 130–175 and 325–450 °C for the Im and H(T)BAˉ moieties, respectively. The preservation of their inner coordination sphere after dissolution in water was confirmed by UV–Vis spectroscopy. The spectra had typical λ<sub>max</sub> values for metal(II)–Im systems: ∼500 nm (Co<sup>2+</sup>), ∼632 nm (Ni<sup>2+</sup>) and ∼631 nm (Cu<sup>2+</sup>). In the crystal structures of salts, 3D supramolecular frameworks were assembled by water molecules, complex cations and corresponding anions through hydrogen bonding. During biological testing, only nickel(II) imidazole complexes demonstrated enhanced bacteriostatic activity against <em>E. coli</em>. The cytotoxicity of copper-based compounds was significantly higher for SKOV3 cancer cells than against HepG2 cells.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"582 ","pages":"Article 122643"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143683559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel transition metal (II) complexes of hydrazones as potential antitumor agents: Synthesis, characterization, DFT computations, cytotoxic activities, molecular docking and simulation studies
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-07 DOI: 10.1016/j.ica.2025.122634
Hatice Gamze Sogukomerogullari , Eyüp Başaran , Reşit Çakmak , Muhammed Tılahun Muhammed , Senem Akkoc
{"title":"Novel transition metal (II) complexes of hydrazones as potential antitumor agents: Synthesis, characterization, DFT computations, cytotoxic activities, molecular docking and simulation studies","authors":"Hatice Gamze Sogukomerogullari ,&nbsp;Eyüp Başaran ,&nbsp;Reşit Çakmak ,&nbsp;Muhammed Tılahun Muhammed ,&nbsp;Senem Akkoc","doi":"10.1016/j.ica.2025.122634","DOIUrl":"10.1016/j.ica.2025.122634","url":null,"abstract":"<div><div>In this study, novel Cu(II), Co(II), and Fe(II) metal complexes comprising pyridine-based hydrazone ligands (L<sub>1</sub> and L<sub>2</sub>) and their new mixed-ligand metal complexes with 1,10-phenanthroline (phen) were also prepared. The complexes were characterized by molar conductivity measurements, magnetic susceptibility, elemental analysis, fourier-transform infrared (FT-IR), mass, and Ultraviolet-visible (UV–Vis) spectroscopy. All the synthesized complexes were assessed in human lung (A549) and human liver cancer (HepG2) cell lines. In particular, two of the synthesized complexes, [Cu(L<sub>1</sub>)(phen)(OAc)<sub>2</sub>].3H<sub>2</sub>O (<strong>4</strong>) and [Cu(L<sub>2</sub>)(phen)(OAc)<sub>2</sub>].3H<sub>2</sub>O (<strong>10</strong>), exhibited a significantly elevated antiproliferative impact, demonstrating almost two and a half times greater efficacy in the A549 cell line and twenty times more effectiveness in the liver cancer cell line compared to the positive control drug cisplatin. Copper chelate complexes exhibited the highest level of activity in the in vitro activity analysis. The probable mechanism of action of the active ligand, copper chelate complexes, in this investigation was examined using molecular modeling. The binding affinity of the <strong>4</strong> and <strong>10</strong> copper chelate complexes to the nucleotide binding domain 1 (NBD1) of MRP1 was analyzed via molecular docking. The stability of the protein-ligand chelate complexes obtained from docking was investigated using molecular dynamics (MD) simulations.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122634"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of anticancer capacity, catalase interactions, molecular docking, and antioxidant studies of some diamagnetic (Pd, Pt, and Zn) Schiff base complexes
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-07 DOI: 10.1016/j.ica.2025.122642
Somaye Shahraki , Effat Dehghanian , Kobra Shahraki
{"title":"Evaluation of anticancer capacity, catalase interactions, molecular docking, and antioxidant studies of some diamagnetic (Pd, Pt, and Zn) Schiff base complexes","authors":"Somaye Shahraki ,&nbsp;Effat Dehghanian ,&nbsp;Kobra Shahraki","doi":"10.1016/j.ica.2025.122642","DOIUrl":"10.1016/j.ica.2025.122642","url":null,"abstract":"<div><div>New Schiff base complexes, including diamagnetic metal ions (Pd<sup>2+</sup><strong>/C1</strong>, Pt<sup>2+</sup><strong>/C2</strong>, Zn<sup>2+</sup><strong>/C3</strong>), have been synthesized via appropriate conventional methods using 1-phenyl-1-(pyridin-4-ylimino) propan-2-one oxime (<strong>PPYO</strong>) as a Schiff base ligand. Theoretical studies confirmed that the <strong>C1-C3</strong> have high reactivity and pharmacological potential. The antioxidant activity of the <strong>C1-C3</strong> was determined using the DPPH (2,2-diphenyl-1-picrylhydrazyl) method and the following trend was obtained: <strong>C1</strong> &gt; <strong>C2</strong> &gt; <strong>C3</strong> &gt; <strong>PPYO</strong>. These complexes were able to present good cytotoxic effects on HCT116 colon cancer cells. The trend of anticancer activity is as follows: <strong>C2</strong> &gt; <strong>C1</strong> &gt; <strong>C3</strong>. Considering the importance of the antioxidant enzyme catalase in removing reactive oxygen species (ROS), the binding process of <strong>C1-C3</strong> with catalase was evaluated. The results showed that <strong>C1-C3</strong> can inhibit the catalytic performance of catalase. The <strong>C1-C3</strong> quenched the catalase fluorescence emission with a static quenching mechanism. The binding affinity to catalase was almost similar for all three complexes (K<sub>b</sub> <strong>=</strong> 6.37 ± 0.33, 3.23 ± 0.14 and 4.57 ± 0.36 × 10<sup>5</sup> M<sup>−1</sup> for <strong>C1</strong>, <strong>C2</strong> and <strong>C3</strong>, respectively at 303 K). In <strong>C1/C2</strong> interaction with catalase, which was an exothermic and spontaneous process, hydrogen bonds, van der Waals forces, and hydrophobic interactions played a decisive role and were strongly confirmed by molecular docking data. Tracking the structural changes of catalase showed that the enzyme undergoes structural changes in the presence of complexes.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122642"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143611662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, structural characterization, and biological evaluation of novel antimony(III) thiosemicarbazone complexes with uncommon geometries
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-06 DOI: 10.1016/j.ica.2025.122627
Okan Ucar , Ibrahim I. Ozturk , Anita M. Grześkiewicz , Maciej Kubicki , Christina Banti , Sotiris K. Hadjikakou
{"title":"Synthesis, structural characterization, and biological evaluation of novel antimony(III) thiosemicarbazone complexes with uncommon geometries","authors":"Okan Ucar ,&nbsp;Ibrahim I. Ozturk ,&nbsp;Anita M. Grześkiewicz ,&nbsp;Maciej Kubicki ,&nbsp;Christina Banti ,&nbsp;Sotiris K. Hadjikakou","doi":"10.1016/j.ica.2025.122627","DOIUrl":"10.1016/j.ica.2025.122627","url":null,"abstract":"<div><div>The synthesis, structural characterization, and biological evaluation of novel antimony(III) thiosemicarbazone complexes containing thiophene-derived ligands are reported. Two complexes were synthesized: {[SbBr₂(κ<sup>2</sup>-N<sup>3</sup>,S-Hatetsc)]} (<strong>1</strong>) and {[SbCl₂(η<sup>1</sup>-S-Hatmtsc)(κ<sup>2</sup>-N<sup>3</sup>,S-Hatmtsc)]} (<strong>2</strong>). X-ray crystallography revealed complex <strong>1</strong> adopts a distorted seesaw structure, while complex <strong>2</strong> has a distorted square pyramidal structure. Both complexes showed significant antiproliferative activity against HeLa cancer cells. They also exhibited enhanced antibacterial activity against Gram-negative bacteria, particularly <em>Escherichia coli</em>. This study highlights the potential of thiophene-based antimony(III) complexes as promising candidates for anticancer and antibacterial therapies.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122627"},"PeriodicalIF":2.7,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new macrocyclic dansyl-cyclen fluorescent probe for the identification of mildly acidic intracellular compartments
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-05 DOI: 10.1016/j.ica.2025.122620
Daniele Paderni , Daniele Lopez , Annarita Ciavarella , Mariele Montanari , Giovanna Panza , Maria Voccia , Mauro Formica , Barbara Canonico , Eleonora Macedi , Stefano Papa , Vieri Fusi
{"title":"A new macrocyclic dansyl-cyclen fluorescent probe for the identification of mildly acidic intracellular compartments","authors":"Daniele Paderni ,&nbsp;Daniele Lopez ,&nbsp;Annarita Ciavarella ,&nbsp;Mariele Montanari ,&nbsp;Giovanna Panza ,&nbsp;Maria Voccia ,&nbsp;Mauro Formica ,&nbsp;Barbara Canonico ,&nbsp;Eleonora Macedi ,&nbsp;Stefano Papa ,&nbsp;Vieri Fusi","doi":"10.1016/j.ica.2025.122620","DOIUrl":"10.1016/j.ica.2025.122620","url":null,"abstract":"<div><div>A new dansyl-based fluorescent probe containing the dimethylcyclen macrocycle scaffold (1,7-dimethyl-4,10-bis(dansyl)-1,4,7,10-tetraazacyclododecane, AJ2DAN) has been synthesized and fully characterized; it was designed based on a previous similar molecule (AJ2NBD), featuring two NBD (4-amino-7-nitrobenzo[1,2,5]oxadiazole) fluorophores in place of dansyl groups. Absorption and fluorescence emission spectra of AJ2DAN were recorded in both aqueous solution and organic solvents, always showing large Stokes shifts. In acidic solution the compound is very weakly fluorescent, while the emission increased by moving towards neutral pH. Moreover, a very high emission was detected in 1,4-dioxane, a solvent able to mimic the cell membrane polarity. The chemical response is reflected by the intracellular behaviour: by coupling AJ2DAN and LTDR labelling, it is possible to observe the lack of colocalization of “green” AJ2DAN<sup>positive</sup> vesicles with LTDR<sup>positive</sup> lysosomes, attesting a specificity for vesicular structures with mild acidic environment, such as autophagosomes and amphisomes. The autophagy inhibitor Chloroquine (CQ) has been used to prevent the fusion of autophagosomes with lysosomes and their consequent lysosomal degradation, thereby increasing the accumulation of autophagosomes: this drug enabled to set-up the protocol used in the present study. The new AJ2DAN molecule shows a high and pH-dependent quantum yield thus it lies in the field of fluorescent probes. Here, it has been demonstrated its possible use in the biological environment not only for cell imaging but also as pH-probe inside the biological compartments.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122620"},"PeriodicalIF":2.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577759","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An overview of the synthesis, structure and properties of heteronuclear europium(III)-transition metal complexes with salen type compartmental ligands having inner N2O2 and outer O4 cavities
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-03-05 DOI: 10.1016/j.ica.2025.122625
Arabinda Chakraborty , Puspendu Middya , Shouvik Chattopadhyay
{"title":"An overview of the synthesis, structure and properties of heteronuclear europium(III)-transition metal complexes with salen type compartmental ligands having inner N2O2 and outer O4 cavities","authors":"Arabinda Chakraborty ,&nbsp;Puspendu Middya ,&nbsp;Shouvik Chattopadhyay","doi":"10.1016/j.ica.2025.122625","DOIUrl":"10.1016/j.ica.2025.122625","url":null,"abstract":"<div><div>The synthetic methodology and structures of various heteronuclear europium(III)-3d metal complexes of salen type N<sub>2</sub>O<sub>2</sub>O<sub>2</sub>′ donor compartmental Schiff base ligands are discussed in this review. The magnetic properties of the complexes and their important applications are also briefly discussed. The less-studied uses of these complexes are highlighted in the review.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122625"},"PeriodicalIF":2.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143632085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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