Bioinorganic Chemistry and Applications最新文献

{"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 ¹H, ¹³C, 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 × 10⁴ M^-1, 2.27 × 10⁴ M^-1, and 3.70 × 10⁴ M^-1 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 × 10⁵ M^-1 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 IC₅₀ 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}

{"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^2-) was utilized for the synthesis of a dinuclear gallium(III) complex, uns-<i>cis</i>-[Ga(1,3-pdda)(<i>µ</i>-OH)]₂ ^.2H₂O (<b>1</b>). Complex <b>1</b> was characterized using IR and NMR (¹H and ¹³C) 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^2- ligand, as well as two oxygen atoms from the bridging hydroxyl groups. IR and NMR (¹H and ¹³C) 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)]·3H₂O (<b>2</b>) and Ba[Ga(1,3-pndta)]₂·3H₂O (<b>3</b>), with 1,3-pdta^4- (1,3-propanediamine-<i>N,N,N',N'</i>-tetraacetate) and 1,3-pndta^4- ((±)-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}

{"title":"Schiff Bases From 4-Aminoantipyrine: Investigation of Their In Silico, Antimicrobial, and Anticancer Effects and Their Use in Glucose Biosensor Design.","authors":"Aşkın Erbaş, Selinsu Dikim, Fatma Arslan, Onur Can Bodur, Seza Arslan, Fatma Özdemir, Nurşen Sarı","doi":"10.1155/bca/2786064","DOIUrl":"10.1155/bca/2786064","url":null,"abstract":"<p><p>Five new Schiff bases from 4-aminoantipyrine were synthesized, characterized, and evaluated for their antimicrobial and DNA cleavage activities, and drug similarity properties and cytotoxicity prediction using in silico analysis. All Schiff bases had good antibacterial and antifungal activities. All compounds showed self-activating DNA cleavage ability in the absence of any reductant or oxidant at low concentrations. Modified carbon paste electrodes were prepared with all Schiff bases, and a glucose biosensor was designed. Schiff base coded (4AA-Fc) was found to have the best sensitivity to H₂O₂. It was observed that the prepared biosensor has a working range at low concentrations (1.0 × 10^-7-1.0 × 10^-6 M (<i>R</i> ² = 1.0)) and a low detection limit (1.0 × 10^-8 M). At the same time, 4AA-Fc was found to be a potent compound for bactericidal and fungicidal effect, killing pathogens. Thus, it could be used for the development of a resistant biosensor in external environment. It also showed a complete DNA degradation. In silico ADME analysis and cell line cytotoxicity studies found these new Schiff bases to have favorable drug-like properties, indicating potential for the development of therapeutic drugs. In particular, the compounds were not a P-gp substrate. Thus, they could be a potential anticancer agent. The present study may be useful for further scientific research in the field of the design, synthesis, and biological studies of bioactive substances.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"2786064"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11978478/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143810107","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":"An Innovative Approach Based on the Green Synthesis of Silver Nanoparticles Using Pomegranate Peel Extract for Antibacterial Purposes.","authors":"Rocío Díaz-Puertas, Francisco J Álvarez-Martínez, Enrique Rodríguez-Cañas, Fernando Borrás, Artur J M Valente, José A Paixao, Alberto Falcó, Ricardo Mallavia","doi":"10.1155/bca/2009069","DOIUrl":"10.1155/bca/2009069","url":null,"abstract":"<p><p>This study describes a green synthesis method for silver nanoparticles (AgNPs) using autochthonous \"Mollar de Elche\" pomegranate peel extract and optimized through a Python-programmed Box-Behnken design (BBD) created specifically for the work. The bioactive compounds in pomegranate, particularly punicalagin, serve as effective reducing and stabilizing agents. BBD was used to analyze the effects of dependent variables such as silver nitrate concentration, pomegranate extract concentration, and temperature on responses such as hydrodynamic diameter, polydispersity index, and zeta potential, minimizing experimental trials and highlighting variable interactions. Optimal conditions were experimentally validated and agreed well with the predicted values. The optimized AgNPs were characterized via ultraviolet-visible spectrophotometry, Fourier transform infrared spectroscopy, X-ray diffraction, and field emission scanning electron microscopy. These AgNPs demonstrated substantial antibacterial activity against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i>. Furthermore, the AgNPs were incorporated into nanofibrous scaffolds as a proof of concept for potential biomedical applications, where their antibacterial activity was partially retained postincorporation. This study highlights the potential of pomegranate extract as a sustainable medium for AgNP synthesis with promising antibacterial applications and the ability of the BBD as a useful tool for efficient optimization of multivariable processes, including the synthesis of nanomaterials.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"2009069"},"PeriodicalIF":4.7,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11925634/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143669029","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":"A Comprehensive Review of the Biological Activities of Medicinal Metal Complexes Synthesized From Quinoline Scaffolds.","authors":"Sabikeh G Azimi, Neda Shakour, Ghodsieh Bagherzade, Mohammad Reza Saberi, Hosseinali Azimi, Mehdi Moosavi F","doi":"10.1155/bca/3133615","DOIUrl":"10.1155/bca/3133615","url":null,"abstract":"<p><p>The compelling attributes of quinoline scaffolds in medicinal compounds have garnered considerable attention from researchers, due to their notable biological efficacy, biocompatibility, and distinctive photophysical properties. Quinoline complexes, in particular, have emerged as significant entities, demonstrating a wide array of medicinal properties, including antibacterial, antifungal, antiviral, anticancer, anthelmintic, anti-HIV, antioxidant, antituberculosis, and antimalarial activities. In addition, they showed promise in photodynamic and neurological studies, along with strong DNA-binding capabilities. In recent years (2010-2023), substantial progress has been made in understanding quinoline complexes. Key aspects such as the lipophilicity, of metal complexes, enzymatic drug degradation factors influencing inhibition, drug performance, disruption of target cell growth, and their impact on DNA have been thoroughly investigated. Researchers have employed advanced methodologies including fluorescent imaging, determination of MIC and IC₅₀ values, hydrodynamic and spectrophotometric techniques, in silico and in vitro studies, and cytotoxicity assessments using the MTT method, to significantly enhance our understanding of these complexes. Recent findings indicated that the interaction of quinoline complexes with viral proteins and their ability to disrupt enzyme-viral DNA relationships have made them powerful therapeutic agents for severe diseases including cancer, AIDS, and coronaviruses, as well as various neurological and microbial infections. It is anticipated that these explorations will lead to effective advancements in therapeutic strategies within modern medicine.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"3133615"},"PeriodicalIF":4.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11835480/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447743","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":"Decavanadate Compound Displays In Vitro and In Vivo Antitumor Effect on Melanoma Models.","authors":"Amine Essid, Ines Elbini, Regaya Ksiksi, Nardine Harrab, Wassim Moslah, Imen Jendoubi, Raoudha Doghri, Mohamed-Faouzi Zid, José Luis, Najet Srairi-Abid","doi":"10.1155/bca/6680022","DOIUrl":"10.1155/bca/6680022","url":null,"abstract":"<p><p>The efficacy of available treatments for melanoma is limited by side effects and the rapidly emerging resistance to treatment. In this context, the decavanadate compounds represent promising tools to design efficient therapeutic agents. In our study, we synthesized a dimagnesium disodium decavanadate icosahydrate compound (Mg₂Na₂V₁₀O₂₈·20H₂O) and investigated its structure stability as well as its antimelanoma effects. Results showed that the Mg₂Na₂V₁₀O₂₈·20H₂O compound is structured in a monoclinic system with the space group C2/c, stabilized by oxygen vertices, hydrogen bonds, and van der Waals interactions. Interestingly, we found that this newly synthesized compound reduced the viability of human (IGR39, IGR37, and SKMEL28) and murine (B16-F10) melanoma cells in a dose-dependent manner. The IC₅₀ values ranged from 7.3 to 18 μM after 24 h and decreased to 1.4 μM after 72 h of treatment. Notably, this effect was more important than that of cisplatin (IC₅₀ = 3 μM after 72 h of treatment), a chemotherapeutic agent, commonly used in the treatment of malignant melanoma. Furthermore, the cytotoxicity of the decavanadate compound was relatively weak on normal human keratinocytes (HaCaT), with a light effect (IC₅₀ >> 70 μM) observed after 24 h of treatment. Thus, the Mg₂Na₂V₁₀O₂₈·20H₂O compound displayed an advantage over cisplatin, which was reported to be much more aggressive to the keratinocyte cell line (IC₅₀ = 23.9 μM). Moreover, it inhibited dose-dependently the adhesion of IGR39 cells to collagen (IC₅₀ = 2.67 μM) and fibronectin, as well as their migration with an IC₅₀ value of 2.23 μM. More interestingly, its in vivo administration to B16-F10 allografted mice, at the nontoxic dose of 50 μg (2.5 mg/kg), prevented and suppressed by 70% the tumor growth, compared to the nontreated mice. Moreover, this compound has also allowed a recovery against inflammation induced in mice by a mixture of DMBA and croton oil. Thus, all our results showed the potential of the Mg₂Na₂V₁₀O₂₈·20H₂O compound to prevent and efficiently treat the growth and metastasis of melanoma.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2025 ","pages":"6680022"},"PeriodicalIF":4.7,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11742080/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142999352","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":"Novel Pt (II) Complexes With Anticancer Activity Against Pancreatic Ductal Adenocarcinoma Cells.","authors":"Erika Stefàno, Gianluca Rovito, Luca G Cossa, Federica De Castro, Viviana Vergaro, Asjad Ali, Giulia My, Danilo Migoni, Antonella Muscella, Santo Marsigliante, Michele Benedetti, Francesco Paolo Fanizzi","doi":"10.1155/bca/5588491","DOIUrl":"10.1155/bca/5588491","url":null,"abstract":"<p><p>Pancreatic ductal adenocarcinoma (PDAC) is a highly aggressive type of solid tumor that is becoming more common. <i>cis</i>-[PtCl₂ (NH₃)₂] (in short cisplatin or CDDP) has been shown to be effective in treating various cancers, including PDAC. However, the development of resistance to chemotherapy drugs has created a need for the synthesis of new anticancer agents. Platinum-based drugs containing the bidentate ligand phenanthroline have been found to have strong antitumor activity due to their ability to cause DNA damage. In this study, we examined the ability of two Pt (II) cationic complexes, [Pt(<i>η</i> ¹-C₂H₄OR) (DMSO) (phen)]⁺ (in short Pt-EtORSOphen; <i>R</i> = Me, <b>1</b>; Et, <b>2</b>), to inhibit the growth and spread of BxPC-3 PDAC cells, in comparison to CDDP. The length of the alkyl chain and its associated lipophilic properties did not affect the anticancer effects of complexes <b>1</b> and <b>2</b> in BxPC-3 cells. However, it did appear to influence the rapid loss of mitochondrial membrane potential (ΔΨ_M), suggesting that these complexes could potentially be used as mitochondria-targeted lipophilic cations in anticancer therapy.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2024 ","pages":"5588491"},"PeriodicalIF":4.7,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11779987/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143063480","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":"Biogenic Synthesis of Photosensitive Magnesium Oxide Nanoparticles Using Citron Waste Peel Extract and Evaluation of Their Antibacterial and Anticarcinogenic Potential.","authors":"Nawal M Al Musayeib, Musarat Amina, Farah Maqsood, Kholoud A Bokhary, Nada S Alrashidi","doi":"10.1155/2024/8180102","DOIUrl":"10.1155/2024/8180102","url":null,"abstract":"<p><strong>Background: </strong>Magnesium oxide nanoparticles (MgONPs) have been fabricated by several approaches, including green chemistry approach due to diverse application and versatile features.</p><p><strong>Objectives: </strong>The current study aimed to prepare a convenient, biocompatible, and economically viable MgONPs using waste citron peel extract (CP-MgONPs) to evaluate their biological applications.</p><p><strong>Methods: </strong>The CP-MgONPs were synthesized by a sustainable approach from extract of waste citron peel both as capping and reducing agents without use of any hazardous material. The physicochemical features of formed CP-MgONPs were determined by sophisticated analytical and microscopic techniques. The biogenic CP-MgONPs were examined for their antibacterial, anticarcinogenic, and photocatalytic attributes.</p><p><strong>Results: </strong>A prominent absorption peak in the UV-Vis spectra at 284 nm was the distinguishing characteristic of the CP-MgONPs. The scanning electron microscopy (SEM) reveals polyhedral morphology of nanoparticles with slight agglomeration of CP-MgONPs. The CP-MgONPs exerted excellent antibacterial potencies against six bacterial strains. The CP-MgONPs displayed significant susceptibility towards <i>E. coli</i> (20.72 ± 0.33 mm) and <i>S. aureus</i> (19.52 ± 0.05 mm) with the highest inhibition zones. The anticancer effect of CP-MgONPs was evaluated against HepG2 (IC₅₀ : 15.3 <i>μ</i>g·mL^-1) cancer cells and exhibited potential anticancer activity. A prompt inversion of cellular injury manifested as impairment of the integrity of the cell membrane, apoptosis, and oxidative stress was observed in treated cells with CP-MgONPs. The biosynthesized CP-MgONPs also conducted successful photocatalytic potential as much as MgO powder under the UV-light using acid orange 8 (AO-8) dye. The degradation performance of CP-MgONPs showed over 94% photocatalytic degradation efficiency of acid orange 8 (AO-8) dyes within a short time.</p><p><strong>Conclusions: </strong>Outcomes of this research signify that biogenic CP-MgONPs may be advantageous at low concentrations, with positive environmental impacts.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2024 ","pages":"8180102"},"PeriodicalIF":4.7,"publicationDate":"2024-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11221967/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141496983","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":"Molecular Structure, Spectroscopic, Frontier Molecular Orbital Analysis, Molecular Docking Studies, and In Vitro DNA-Binding Studies of Osmium(II)-Cymene Complexes with Aryl Phosphine and Aryl Phosphonium Assemblies","authors":"Kgaugelo C. Tapala, Nqobile G. Ndlangamandla, Mpho P. Ngoepe, Hadley S. Clayton","doi":"10.1155/2024/6697523","DOIUrl":"https://doi.org/10.1155/2024/6697523","url":null,"abstract":"X-ray crystallography, spectroscopy, computational methods, molecular docking studies, and <i>in vitro</i> DNA-binding studies have been useful in the investigations of intermolecular and intramolecular interactions of osmium-cymene oxalato complexes with aryl phosphine and aryl phosphonium groups in both primary and secondary coordination spheres, respectively. Molecular structures of the novel complexes PPh₄[Os(<i>η</i>⁶-<i>p</i>-cymene)Br(<i>κ</i>²-<i>O,O′</i>-C₂O₄)] (<b>1</b>) and [Os(<i>η</i>⁶-<i>p</i>-cymene) (<i>κ</i>²-<i>O,O′</i>-C₂O₄)PPh₃] (<b>2</b>) were resolved by single-crystal X-ray diffraction (XRD). Primary and secondary coordination sphere contacts were investigated using Hirshfeld surface analysis which was supported by molecular docking (MD) studies. The MD data obtained predicted significant differences in binding energy across three receptors for the two osmium complexes. An <i>in vitro</i> DNA-binding study was accomplished using UV-Vis spectroscopy which showed that both <b>1</b> and <b>2</b> bond with DNA through an intercalation approach. The optimized molecular geometry, frontier molecular orbital (E_HOMO and E_LUMO) energies, global electrophilicity index (<i>ω</i>), chemical hardness (<i>η</i>), chemical potential (<i>µ</i>), and the energy band gap (E_HOMO–E_LUMO) were calculated utilizing density functional theory (DFT) methods. Computed structural parameters (bond lengths and angles) support the experimental single-crystal XRD data.","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"41 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141168581","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}