Paul Getreuer, Theresa Mendrina, Steven van Terwingen, Laura Marretta, Orsolya Dömötör, Dominik Wenisch, Michaela Hejl, Petra Heffeter, Walter Berger, Michael A Jakupec, Alessio Terenzi, Bernhard K Keppler, Wolfgang Kandioller
{"title":"Exploring the Anticancer Properties of 4-Phenylthiazole-Based Ru(II) and Os(II) Metallacycles Featuring 1-Methylimidazole as <i>N</i>-Donor Functionality.","authors":"Paul Getreuer, Theresa Mendrina, Steven van Terwingen, Laura Marretta, Orsolya Dömötör, Dominik Wenisch, Michaela Hejl, Petra Heffeter, Walter Berger, Michael A Jakupec, Alessio Terenzi, Bernhard K Keppler, Wolfgang Kandioller","doi":"10.1155/bca/6352081","DOIUrl":"10.1155/bca/6352081","url":null,"abstract":"<p><p>Ten organometallic complexes of the general formula [M(<i>p</i>-cymene)thi<sub>CΛN</sub>MeIm]NO<sub>3</sub> (M = Ru, Os; MeIm = 1-methylimidazole, thi = 4-phenylthiazole) differing in their substituents on the 4-phenylthiazole scaffold were prepared and characterized by standard analytical methods. The antiproliferative activity of the compounds was investigated in human lung adenocarcinoma (A549), colon adenocarcinoma (SW480), and human ovarian teratocarcinoma (CH1/PA-1) cell lines. IC<sub>50</sub> values were in the low micromolar range with two exceptions. Additionally, the cytotoxicity of selected compounds was determined in the HCT116 colon carcinoma cell line in both 2D (monolayer) and 3D (multicellular spheroid) cultures. For selected compounds, the capacity of ROS induction was investigated in SW480 cells. Cellular accumulation experiments, as well as studies regarding stability and reactivity in aqueous solution, were performed, providing conclusive explanations for the observed differences in cytotoxicity. Furthermore, amino acid and DNA interaction studies were performed to elucidate aspects of the mechanism of action. The obtained insight into the antiproliferative activity in multicellular spheroids compelled us to perform in vivo studies, revealing the unexpected therapeutic efficacy of an in vitro inactive complex.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"6352081"},"PeriodicalIF":4.1,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12463534/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145184448","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}
{"title":"RETRACTION: Inhibition of Glycogen Synthase Kinase and the Neuroprotective Function of Conjugated ZnO-Osthol Nanoparticles in Alzheimer's Disease.","authors":"Bioinorganic Chemistry And Applications","doi":"10.1155/bca/9754654","DOIUrl":"10.1155/bca/9754654","url":null,"abstract":"<p><p>[This retracts the article DOI: 10.1155/2022/1401995.].</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"9754654"},"PeriodicalIF":4.1,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12431812/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145063546","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}
Azmat Ali Khan, Annu Yadav, Sudhakar Bansod, Azhar U Khan, Nirmala Kumari Jangid, Mahboob Alam
{"title":"Multifunctional ZnO Nanoparticles Synthesized Using <i>Spirodela polyrhiza</i> Extract: Characterization, Photocatalytic Activity, Antimicrobial Assessment, and In Silico Modeling.","authors":"Azmat Ali Khan, Annu Yadav, Sudhakar Bansod, Azhar U Khan, Nirmala Kumari Jangid, Mahboob Alam","doi":"10.1155/bca/5541535","DOIUrl":"10.1155/bca/5541535","url":null,"abstract":"<p><p>This study investigates the green synthesis of zinc oxide nanoparticles (ZnO NPs) using the aqueous extract of the aquatic plant <i>Spirodela polyrhiza</i> (greater duckweed) and evaluates their multifunctional properties. The ZnO NPs were synthesized via a sustainable method and characterized using UV-visible spectroscopy, TEM, FESEM, EDX, FTIR, and XRD analyses. UV-visible spectroscopy confirmed the formation of ZnO NPs with a characteristic absorption peak at ∼349 nm. TEM and FESEM analyses revealed spherical and nonspherical particles ranging from 20 to 70 nm. The antimicrobial activity of ZnO NPs was assessed against three bacterial strains (<i>Escherichia coli</i>, <i>Staphylococcus aureus</i>, and <i>Bacillus subtilis</i>) and three fungal strains (<i>Aspergillus niger</i>, <i>Penicillium chrysogenum</i>, and <i>Candida albicans</i>). Notably, <i>B. subtilis</i> showed a maximum inhibition zone of 18 mm at 100 mg/mL, while <i>A. niger</i> exhibited the highest antifungal response with a zone of 22 mm and an activity index (AI) of 1.15, indicating comparable or superior activity to ketoconazole at higher concentrations. Molecular docking simulations using the crystal structure of <i>B. subtilis</i> YmaH (Hfq) protein (PDB ID: 3HSB) revealed strong noncovalent interactions with Zn atoms of the NPs, particularly involving HIS57 and LEU26 residues. Additionally, ZnO NPs demonstrated a noteworthy photocatalytic degradation (90.4%) of methylene blue dye under sunlight exposure. These results highlight the potential of <i>S. polyrhiza</i>-mediated ZnO NPs for use in antimicrobial therapies and environmental remediation applications.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"5541535"},"PeriodicalIF":4.7,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12279428/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144681890","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}
Sheng-Jie Chang, Xin-Wei Zhang, Hao-Wei Xu, Shu-Bao Zhang, Xiao-Wei Liu, Yu-Yang Yi, Wei Pan, Kai Li, Shan-Jin Wang
{"title":"CeO<sub>2</sub> Nanoparticles Reduce Oxidative Stress and Delay the Degeneration of Intervertebral Disc.","authors":"Sheng-Jie Chang, Xin-Wei Zhang, Hao-Wei Xu, Shu-Bao Zhang, Xiao-Wei Liu, Yu-Yang Yi, Wei Pan, Kai Li, Shan-Jin Wang","doi":"10.1155/bca/3399767","DOIUrl":"10.1155/bca/3399767","url":null,"abstract":"<p><p>The oxidative stress of the body can destroy the homeostasis and lead to a series of adverse outcomes. In recent years, nano-enzyme materials, as a new hotspot in materials science, have been gradually applied in various fields because of their enzyme-like activities at the nanoscale and their ability to regulate various physiological processes in organisms. In this study, we developed a novel cerium oxide (CeO<sub>2</sub>) nano-enzyme drug and demonstrated that the nano-enzyme can effectively improve oxidative stress levels and delay disc degeneration in rats. The experimental results confirmed that in in vitro experiments, the novel cerium oxide nano-enzyme could significantly reduce the ROS level in cells, delay cell senescence, reduce the level of apoptosis, and improve the metabolic state of nucleus pulposus cells. At the same time, it maintains low toxicity to cells. At the animal level, imaging and histomorphological evaluation showed that the novel cerium oxide nano-enzyme could significantly improve the disc height index, MRI Pfirrmann grade, and histological grade scores in rats. In summary, we have developed a successful cerium oxide nano-enzyme, which can be used to reduce the degeneration level of intervertebral disc and provide a new potential idea for clinical treatment of patients with lumbar disc herniation.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"3399767"},"PeriodicalIF":4.7,"publicationDate":"2025-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12277054/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144681889","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}
Siham Bouaouz, Miriam Chavez, Cornelia E Peña González, Daniel Rojas, Alberto Escarpa, Paula Ortega, F Javier de la Mata
{"title":"Enhancing Polyphenol Delivery and Efficacy Using Functionalized Gold Nanoparticles: Antioxidant and Antibacterial Properties.","authors":"Siham Bouaouz, Miriam Chavez, Cornelia E Peña González, Daniel Rojas, Alberto Escarpa, Paula Ortega, F Javier de la Mata","doi":"10.1155/bca/3836765","DOIUrl":"10.1155/bca/3836765","url":null,"abstract":"<p><p>Research into the use of nanoparticles to enhance the delivery and efficacy of polyphenols is a topic of growing interest in the fields of nanotechnology, pharmacology and food science. Nanoparticles, due to their small size and high surface area, can improve the stability, solubility and bioavailability of polyphenols. Combining polyphenols with other bioactive compounds within nanoparticles can create synergistic effects, enhancing their overall therapeutic potential. In this work, we present a new polyethylene glycol (PEG) capping ligand modified with caffeic acid (CA), HS-PEG-CA and two types of gold nanoparticles: (i) coated with a PEG-thiol derivative functionalized with CA (HS-PEG-CA) (homofuncionalized NP) and (ii) HS-PEG-CA cationic carbosilane dendrons with antibacterial properties (heterofuncionalized NP). The antioxidant capacity of the CA, in three systems, has been studied by different techniques such as FRAP, DDPH and cyclic voltammetry, demonstrating that it is preserved when it is supported on the NP and increases when it is part of the PEG ligand. In addition, heterofuntionalized NP showed activity against <i>S. aureus</i> and HS-PEG2K-CA ligand can effectively anchor to gold substrates.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"3836765"},"PeriodicalIF":4.7,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12170072/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144309505","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}
Marianna Flora Tomasello, Maria Carmela Di Rosa, Irina Naletova, Michele Francesco Maria Sciacca, Alessandro Giuffrida, Giuseppe Maccarrone, Francesco Attanasio
{"title":"Semax, a Copper Chelator Peptide, Decreases the Cu(II)-Catalyzed ROS Production and Cytotoxicity of aβ by Metal Ion Stripping and Redox Silencing.","authors":"Marianna Flora Tomasello, Maria Carmela Di Rosa, Irina Naletova, Michele Francesco Maria Sciacca, Alessandro Giuffrida, Giuseppe Maccarrone, Francesco Attanasio","doi":"10.1155/bca/4226220","DOIUrl":"10.1155/bca/4226220","url":null,"abstract":"<p><p>Alzheimer's disease (AD) is the most common neurodegenerative disorder associated with cognitive decline and loss of memory. It is postulated that the generation of reactive oxygen species (ROS) in Fenton-like reaction connected with Cu(II)/Cu(I) redox cycling of the Cu(II)-aβ complex can play a key role in the molecular mechanism of neurotoxicity in AD. Semax (Met-Glu-His-Phe-Pro-Gly-Pro) is a synthetic regulatory peptide that possesses a high affinity for Cu(II) ions. The ability of the peptide Semax to inhibit the copper-catalyzed oxidation of aβ was studied in vitro and discussed. The results indicate that Semax is able to extract Cu(II) from Cu(II)-aβ species as well as to influence the redox cycling of the Cu(II)-aβ complex and decrease the level of associated ROS production. Finally, our data suggest that Semax shows cytoprotective properties for SH-SY5Y cells against oxidative stress induced by copper-catalyzed oxidation of the aβ peptide. This study provides valuable insights into the potential role of Semax in neurodegenerative disorders and into the design of new compounds with therapeutic potential for AD.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"4226220"},"PeriodicalIF":4.7,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12151629/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144265192","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}
{"title":"In Silico, In Vitro, and In Vivo Investigations of Anticancer Properties of a Novel Platinum (II) Complex and Its PLGA Encapsulated Form.","authors":"Zahra Shabaninejad, Mahdiyar Dehshiri, Sayed Mostafa Modarres Mousavi, Maryam Nikkhah, Sadegh Shirian, Sajad Moradi, S Masoud Nabavizadeh","doi":"10.1155/bca/2673015","DOIUrl":"10.1155/bca/2673015","url":null,"abstract":"<p><p>In recent years, the development of multinuclear platinum complexes has introduced a new era in platinum-based chemotherapy, offering improved cytotoxicity and the ability to overcome resistance. However, these complexes still face challenges related to water solubility, biodistribution, and targeted delivery. This study provides a comprehensive investigation of a novel platinum (II) complex, [Pt<sub>2</sub>(μ-bpy-2H) (Me)<sub>2</sub>(dmso)<sub>2</sub>] (C1), focusing on its DNA binding ability and anticancer activity. Computational and experimental approaches revealed that C1 binding to guanine bases and involvement of intercalative interactions. C1 exhibited cytotoxicity in both cisplatin sensitive and resistant cancer cell lines. To enhance the pharmacokinetic and pharmacodynamic properties of C1, it was encapsulated using poly (D, L-lactic-co-glycolic acid) (PLGA). Molecular dynamic simulations predicted the formation of stable C1/PLGA complexes during the early stages of simulation. Encapsulated C1 showed superior antitumor activity with significantly reduced side effects in tumor-bearing mouse models. In conclusion, this study highlights the novel platinum (II) complex C1 as a promising anticancer agent, especially when paired with PLGA encapsulation to improve its effectiveness and reduce side effects.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"2673015"},"PeriodicalIF":4.7,"publicationDate":"2025-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12127131/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207540","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}
Serdar Batıkan Kavukcu, Hafize Seda Vatansever, Suleyman Ilhan, Hayati Türkmen
{"title":"Naphthyl-Substituted Ruthenium(II)-Arene Complexes: Exploring the Impact of Binding Modes on Cytotoxicity in Cancer and Normal Cell Lines.","authors":"Serdar Batıkan Kavukcu, Hafize Seda Vatansever, Suleyman Ilhan, Hayati Türkmen","doi":"10.1155/bca/5556956","DOIUrl":"https://doi.org/10.1155/bca/5556956","url":null,"abstract":"<p><p>This study investigated the cytotoxic properties of three naphthyl-substituted ruthenium(II)-arene complexes (<b>Ru1</b>, <b>Ru2</b>, and <b>Ru3</b>) against various cancer cell lines (MCF-7, Caco-2, and HepG2) and a healthy cell line (Vero). Herein, we report the novel synthesis and characterization of <b>Ru3</b> for the first time. The complexes were fully characterized by <sup>1</sup>H, <sup>13</sup>C, and 2D NMR spectroscopies, and their interactions with DNA and bovine serum albumin (BSA) were evaluated. Binding constant (Kb) determinations revealed values of 2.95 × 10<sup>4</sup> M<sup>-1</sup>, 2.27 × 10<sup>4</sup> M<sup>-1</sup>, and 3.70 × 10<sup>4</sup> M<sup>-1</sup> for <b>Ru1</b>, <b>Ru2</b>, and <b>Ru3</b> with FS-DNA, respectively, while <b>Ru2</b> exhibited a significantly higher binding constant of 0.86 × 10<sup>5</sup> M<sup>-1</sup> with BSA, indicating a favorable binding interaction. Molecular docking of <b>Ru3</b> was performed against BSA, EGFR wild type (EGFRWT), and mutant EGFRT790M. <b>Ru3</b> exhibited docking scores of -178.827, -204.437, and -176.946 kJ/mol with BSA, EGFRWT, and EGFRT790M, respectively. Cytotoxicity assays revealed that <b>Ru1-3</b> exhibited superior activity against MCF-7 and Caco-2 cells compared to HepG2 cells. Following a 24-h exposure, <b>Ru2</b> exhibited an IC<sub>50</sub> of 1.39 μg/mL against the Caco-2 cell line. Morphological analysis suggested that all complexes induced apoptosis in cancer cells. Notably, <b>Ru2</b> demonstrated minimal activity against Vero cells, indicating selectivity. Hirshfeld surface analysis was employed to investigate intermolecular interactions within the crystal structures of the complexes, providing insights into their molecular shapes and potential for interactions with other molecules. In conclusion, this study highlights the promising potential of naphthyl-substituted ruthenium(II) complexes as anticancer agents. Their selective cytotoxicity and ability to induce apoptosis warrant further investigation for the development of novel cancer therapies.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"5556956"},"PeriodicalIF":4.7,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12066179/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143956953","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}
{"title":"Bioactive Molecules of Microalgae <i>Haematococcus pluvialis</i>-Mediated Synthesized Silver Nanoparticles: Antioxidant, Antimicrobial, Antibiofilm, Hemolysis Assay, and Anticancer.","authors":"Yoo-Na Jeon, Su-Ji Ryu, Anbazhagan Sathiyaseelan, Jong-Suep Baek","doi":"10.1155/bca/8876478","DOIUrl":"https://doi.org/10.1155/bca/8876478","url":null,"abstract":"<p><p>Bioactive molecule-based synthesis of silver nanoparticles (AgNPs) offers an eco-friendly approach with high therapeutic potential; however, research in this area remains limited. This study introduces hot melt extrusion (HME) technology to enhance the extraction efficiency of bioactive compounds, including astaxanthin, from the microalgae <i>Haematococcus pluvialis</i> (Hp). AgNPs were synthesized using HME-processed Hp (H-Hp/AgNPs), confirmed by a color change and UV-vis absorption spectrum. The resulting H-Hp/AgNPs exhibited an average size of 129.7 ± 10.4 nm, a polydispersity index of 0.2 ± 0.3, and a zeta potential of -31.54 ± 0.2 mV, indicating high stability. The synthesized AgNPs demonstrated antibacterial activity by inhibiting the growth and biofilm formation of antibiotic-resistant bacteria. Cell viability assays revealed that normal cells maintained over 100% viability at most concentrations of H-Hp/AgNPs, while cancer cells exhibited significant cytotoxicity (34.1 ± 3.1%) at 250 μg/mL. Furthermore, H-Hp/AgNPs induced apoptosis in MDA-MB 231 cells, as evidenced by mitochondrial membrane potential loss, nuclear condensation, and apoptosis, confirmed through AO/EB, Rh123, and PI staining. Additionally, H-Hp/AgNPs showed no hemolytic activity at concentrations below 250 μg/mL, ensuring safety. In conclusion, this study highlights the potential of biosynthesized H-Hp/AgNPs as promising candidates with antioxidant, antibacterial, biocompatibility, and anticancer properties.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"8876478"},"PeriodicalIF":4.7,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12064320/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143969312","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}
Bojana V Pantović, Darko P Ašanin, Žiko Milanović, Franc Perdih, Tatjana Ilic-Tomic, Dušanka D Radanović, Iztok Turel, Miloš I Djuran, Biljana Đ Glišić
{"title":"Dinuclear Gallium(III) Complex With 1,3-Propanediamine-<i>N,N'</i>-Diacetate: Structural Characterization, Antimicrobial Activity, and DNA/BSA Interactions.","authors":"Bojana V Pantović, Darko P Ašanin, Žiko Milanović, Franc Perdih, Tatjana Ilic-Tomic, Dušanka D Radanović, Iztok Turel, Miloš I Djuran, Biljana Đ Glišić","doi":"10.1155/bca/8097589","DOIUrl":"https://doi.org/10.1155/bca/8097589","url":null,"abstract":"<p><p>In this study, a tetradentate 1,3-propanediamine-<i>N,N'-</i>diacetate (1,3-pdda<sup>2-</sup>) was utilized for the synthesis of a dinuclear gallium(III) complex, uns-<i>cis</i>-[Ga(1,3-pdda)(<i>µ</i>-OH)]<sub>2</sub> <sup>.</sup>2H<sub>2</sub>O (<b>1</b>). Complex <b>1</b> was characterized using IR and NMR (<sup>1</sup>H and <sup>13</sup>C) spectroscopy, and its crystal structure was determined by single-crystal X-ray diffraction analysis. Both Ga(III) ions in Complex <b>1</b> exhibit octahedral geometry, with each ion coordinated by two nitrogen and two oxygen atoms from the 1,3-pdda<sup>2-</sup> ligand, as well as two oxygen atoms from the bridging hydroxyl groups. IR and NMR (<sup>1</sup>H and <sup>13</sup>C) spectra were simulated using DFT methods, showing a high degree of correlation with experimental data. Hirshfeld surface analysis provided insights into intermolecular interactions, with H⋯O and H⋯H interactions contributing significantly to the crystal stability. The antimicrobial potential of Complex <b>1</b> was evaluated alongside previously synthesized gallium(III) complexes, Na[Ga(1,3-pdta)]·3H<sub>2</sub>O (<b>2</b>) and Ba[Ga(1,3-pndta)]<sub>2</sub>·3H<sub>2</sub>O (<b>3</b>), with 1,3-pdta<sup>4-</sup> (1,3-propanediamine-<i>N,N,N',N'</i>-tetraacetate) and 1,3-pndta<sup>4-</sup> ((±)-1,3-pentanediamine-<i>N,N,N',N'</i>-tetraacetate), respectively. Among all the tested microbial species, the gallium(III) complexes have shown selective activity against <i>Pseudomonas aeruginosa</i> PAO1 strain and were able to reduce pyocyanin production by 40-43% in the clinical isolate BK25H of this bacterium. Moreover, Complexes <b>1</b>-<b>3</b> can modulate the quinolone-mediated quorum sensing system in <i>P. aeruginosa</i> PAO1. Interaction studies with calf thymus DNA (ct-DNA) and bovine serum albumin (BSA) were conducted to evaluate the binding affinity and mode of interaction of Complex <b>1</b> with key biomolecules, aiming to assess its potential for transport via serum proteins and its safety profile in terms of DNA interactions. Spectrofluorimetric experiments and molecular docking revealed that Complex <b>1</b> binds strongly to the Site I on BSA, with weaker interactions at the Site II. While spectrofluorimetric studies showed that Complex <b>1</b> has a slight affinity for minor groove binding or intercalation to ct-DNA, docking studies suggested some minor groove binding, especially in larger DNA sequences, with enhanced stabilization in 10-bp-DNA through hydrogen and carbon bonds.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"8097589"},"PeriodicalIF":4.7,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12011468/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143976901","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}