Bioinorganic Chemistry and Applications最新文献

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Phytofabrication of Zinc Oxide Nanoparticles Using Sida cordifolia L. and Their Biomedical Applications. 植物制备氧化锌纳米颗粒及其生物医学应用。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-04-26 eCollection Date: 2026-01-01 DOI: 10.1155/bca/6531769
Mohammad Arham Siddiqui, Mohd Azam, Shabaaz Begum J P, Sunil Kumar, Rajendra Prasad, Mohammad N Alomary, Mohammad Azam Ansari, Hajed Obaid Abdullah Alharbi, Maryam Saleh Alhumaidi
{"title":"Phytofabrication of Zinc Oxide Nanoparticles Using <i>Sida cordifolia</i> L. and Their Biomedical Applications.","authors":"Mohammad Arham Siddiqui, Mohd Azam, Shabaaz Begum J P, Sunil Kumar, Rajendra Prasad, Mohammad N Alomary, Mohammad Azam Ansari, Hajed Obaid Abdullah Alharbi, Maryam Saleh Alhumaidi","doi":"10.1155/bca/6531769","DOIUrl":"https://doi.org/10.1155/bca/6531769","url":null,"abstract":"<p><p>Eco-friendly approaches for nanoparticle synthesis have gained attention due to their sustainability and reduced environmental impact. Zinc oxide nanoparticles (ZnO NPs) exhibit versatile bioactivities, but conventional synthesis methods often involve toxic reagents. ZnO NPs were synthesized through a one-step bioreduction process, utilizing the crude leaf extract of <i>Sida cordifolia</i> L. and employing the combustion method at 400°C. Characterization of the nanoparticles was analyzed through UV-Vis spectroscopy, FTIR, XRD, DLS, and SEM to assess structural and morphological properties. Antibacterial efficacy was tested through the resazurin plate assay, and antioxidant activity was evaluated through the hydrogen peroxide scavenging assay. UV-Vis shows a characteristic peak at ∼370 nm, which corresponds to the fundamental band gap transition of ZnO. FTIR and DLS verified organic moiety incorporation and nanoparticle size, respectively, while XRD confirmed the wurtzite structure. The average diameter of synthesized nanoparticles was between 88.5 and 90.2 nm. SEM provides detailed insights into their size, shape, surface morphology, and structural features. Functionalized nanoparticles demonstrated enhanced antibacterial efficacy against <i>E. coli</i>, <i>K. pneumoniae</i>, <i>S. aureus</i>, and <i>E. faecalis</i> with MICs of 12.5 μg/mL for Gram-positive bacteria (<i>S. aureus</i> and <i>E. faecalis</i>), 100 μg/mL for <i>E. coli</i>, and 12.5 μg/mL for <i>K. pneumoniae</i>. Antioxidant activity shows concentration-dependent radical scavenging. At a concentration of 3.12 μg/mL, ZnO NPs exhibited 28.7 ± 1.2% scavenging activity, which progressively increased to 64.3 ± 2.5% at 100 μg/mL. This one-pot green synthesis provides a simple, scalable approach to biofunctionalized ZnO NPs with potent antibacterial and antioxidant properties, offering potential for biomedical applications.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"6531769"},"PeriodicalIF":4.1,"publicationDate":"2026-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13111762/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147761082","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
Guanidine-Based Ligands in Bioinorganic Chemistry: Coordination Modes and Applications in Anticancer Metallodrugs. 生物无机化学中胍基配体:配位模式及其在抗癌金属药物中的应用。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-04-19 eCollection Date: 2026-01-01 DOI: 10.1155/bca/6568610
Almudena Del Campo-Balguerías, Alberto Ocaña, Iván Bravo, Carlos Alonso-Moreno
{"title":"Guanidine-Based Ligands in Bioinorganic Chemistry: Coordination Modes and Applications in Anticancer Metallodrugs.","authors":"Almudena Del Campo-Balguerías, Alberto Ocaña, Iván Bravo, Carlos Alonso-Moreno","doi":"10.1155/bca/6568610","DOIUrl":"https://doi.org/10.1155/bca/6568610","url":null,"abstract":"<p><p>Guanidine-containing molecules represent a versatile class of nitrogen-rich compounds whose unique structural and physicochemical features underpin a rich and tunable coordination chemistry. Their capacity to act as strong donor ligands, stabilize a variety of metal centers in different oxidation states, and access multiple coordination modes has established guanidine and guanidine-like cores as pivotal components in medicinal inorganic chemistry. This review provides a focused overview of metallodrugs for antitumor applications in which guanidine or guanidine-like ligands play a central role in metal coordination, highlighting how the coordination modes of the guanidine core translate into their application as anticancer metallodrugs. By correlating coordination mode, metal center, and ligand design with anticancer performance, this work underscores the potential of guanidine-based ligand platforms for the development of next-generation metal-based therapeutics.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"6568610"},"PeriodicalIF":4.1,"publicationDate":"2026-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13092727/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147761107","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
Cyclopalladated Complexes With Functionalized Diphosphanes as Promising Antifungal Scaffolds. 功能化二膦环palladated配合物作为抗真菌支架的应用前景。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-04-11 eCollection Date: 2026-01-01 DOI: 10.1155/bca/6220526
Cláudia Malta-Luís, Carolina Mariano, Teresa Monteiro, Francisco C Mendes, María Villar-López, Álvaro J Arana, Laura Sánchez, Digna Vázquez García, Alberto Fernández, José M Vila, Jesús J Fernández, Oscar Lenis-Rojas, Catarina Pimentel
{"title":"Cyclopalladated Complexes With Functionalized Diphosphanes as Promising Antifungal Scaffolds.","authors":"Cláudia Malta-Luís, Carolina Mariano, Teresa Monteiro, Francisco C Mendes, María Villar-López, Álvaro J Arana, Laura Sánchez, Digna Vázquez García, Alberto Fernández, José M Vila, Jesús J Fernández, Oscar Lenis-Rojas, Catarina Pimentel","doi":"10.1155/bca/6220526","DOIUrl":"https://doi.org/10.1155/bca/6220526","url":null,"abstract":"<p><p>Invasive fungal infections, especially those caused by <i>Candida</i> spp., have been classified as a serious global threat. The emergence of species intrinsically resistant to current drugs, along with the increase in acquired resistance, places significant pressure on the need to develop novel and more effective antifungal agents. A limited number of studies have shown the potential of palladium organometallic complexes as promising antifungal alternatives. Although the mechanism of antifungal activity of these complexes remains unaddressed, the findings support the idea that designing palladium (II) complexes could represent the next generation of antifungals. In this work, we synthesized four cyclopalladated complexes, <b>1a</b>, <b>1b</b>, <b>2a</b>, and <b>2b,</b> from Schiff base-amine phosphanes and evaluated their antifungal potential. Specifically, we assessed their spectrum of activity against several medically relevant <i>Candida</i> spp., their capacity to overcome resistance to current antifungal drugs, antibiofilm properties, uptake by fungal cells, in vivo toxicity, and intracellular effects. The most promising complexes, <b>1b</b> and <b>2b</b>, induce strong oxidative stress and lipid peroxidation, inhibit lipolysis, and disrupt vacuole integrity. Moreover, the rational design of the complexes allowed us to infer important structure-activity relationships. Our findings highlight the potential of palladium complexes as promising scaffolds for future antifungal therapeutic strategies and open new horizons for further development.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"6220526"},"PeriodicalIF":4.1,"publicationDate":"2026-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13069970/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147670105","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
RETRACTION: Novel Synthesis of Titanium Oxide Nanoparticles: Biological Activity and Acute Toxicity Study. 摘要:新型氧化钛纳米颗粒的合成:生物活性和急性毒性研究。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-04-08 eCollection Date: 2026-01-01 DOI: 10.1155/bca/9854987
Bioinorganic Chemistry And Applications
{"title":"RETRACTION: Novel Synthesis of Titanium Oxide Nanoparticles: Biological Activity and Acute Toxicity Study.","authors":"Bioinorganic Chemistry And Applications","doi":"10.1155/bca/9854987","DOIUrl":"https://doi.org/10.1155/bca/9854987","url":null,"abstract":"<p><p>[This retracts the article DOI: 10.1155/2021/8171786.].</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"9854987"},"PeriodicalIF":4.1,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13058437/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147643786","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
Photoactivation in Chemotherapeutic Compounds for Cancer Treatment: Opportunities Beyond Photodynamic Therapy. 癌症化疗化合物的光活化:光动力疗法之外的机会。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-03-08 eCollection Date: 2026-01-01 DOI: 10.1155/bca/7161202
Simon Ngigi Mbugua, Eunice Adhiambo Nyawade
{"title":"Photoactivation in Chemotherapeutic Compounds for Cancer Treatment: Opportunities Beyond Photodynamic Therapy.","authors":"Simon Ngigi Mbugua, Eunice Adhiambo Nyawade","doi":"10.1155/bca/7161202","DOIUrl":"https://doi.org/10.1155/bca/7161202","url":null,"abstract":"<p><p>Photoactivation is the stimulation or regulation of a chemical or a chemical process by utilizing light of specific wavelength that corresponds to an absorbance optimum of the agent being used and can penetrate into tissues. In cancer therapy, photoactivatable drugs utilize this phenomenon by allowing the temporal and spatial regulation of their cytotoxicity using irradiation. Therefore, in order to reduce the adverse effects of platinum medications, photoactivatable anticancer pharmaceuticals, which might be site-activated in the tumour region, are a viable option. This paper summarizes different types of photoactivatable anticancer compounds that would produce an active version of a drug by the process of photouncaging. The mode of photoactivation and rationale for drug design are summarized. The effects of typical complexes on cellular pathways, photocytotoxicity and dark cytotoxicity are explored. When compared to traditional Pt(II) anticancer medications, photoactivatable anticancer compounds provide a number of benefits, including ability to overcome drug resistance, and in situ monitoring of drug accumulation and activation inside cells. This review also covers the design approaches, synthesis techniques, photoresponsiveness and antitumour effectiveness of various photochemotherapeutic compounds. Future developments and challenges in incorporating photoresponsive metal complexes are also covered. This detailed review aims at encouraging further thorough investigation into this intriguing area of study by offering a summary of current developments in the design and development of photoresponsive compounds for cancer treatment and future clinical prospects.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"7161202"},"PeriodicalIF":4.1,"publicationDate":"2026-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12968341/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147430448","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
Substitution Kinetics, DNA/BSA Interactions, Cytotoxicity Evaluation and Computational Analysis of [bis-(azaaryl)amine)Pt(II)/Pd(II)Cl] Complexes, Azaaryl = Quinoline or Phenanthridine. 取代动力学,DNA/BSA相互作用,[双-(氮杂杨基)胺)Pt(II)/Pd(II)Cl]配合物,氮杂杨基=喹啉或菲苯醚的细胞毒性评价和计算分析。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-03-04 eCollection Date: 2026-01-01 DOI: 10.1155/bca/6206843
Phakamani C Dlamini, Thato T Medupe, Lucy W Macharia, Karabo Serala, Sharon Prince, Gregory S Smith, Irvin N Booysen, Allen Mambanda
{"title":"Substitution Kinetics, DNA/BSA Interactions, Cytotoxicity Evaluation and Computational Analysis of [<i>bis</i>-(azaaryl)amine)Pt(II)/Pd(II)Cl] Complexes, Azaaryl = Quinoline or Phenanthridine.","authors":"Phakamani C Dlamini, Thato T Medupe, Lucy W Macharia, Karabo Serala, Sharon Prince, Gregory S Smith, Irvin N Booysen, Allen Mambanda","doi":"10.1155/bca/6206843","DOIUrl":"10.1155/bca/6206843","url":null,"abstract":"<p><p>The search for metal-based anticancer agents with improved efficacy and reduced side effects is ongoing. The activities of these anticancer drugs depend on their aqueous stability, substitutional reactivity at target sites (cytotoxicity) and nontarget sites (toxicity), as well as their transportation and cell bioavailability. In this study, six square-planar Pt(II) and Pd(II) complexes (Pt/PdL1Cl-3), all bearing the bis(azaaryl)amine (azaaryl = quinoline or phenanthridine) chelating ligands, were synthesised and characterised by various spectroscopic methods. Their biochemical interactions with bovine serum albumin (BSA)/deoxyribonucleic acid (DNA) and rates of ligand exchange with biological nucleophiles (guanine and thiourea) were probed spectrophotometrically. DFT-optimised molecular structures in Gaussian 9 were computed. Molecular docking simulations of the optimised structures at the receptors of CT-DNA, BSA and relevant enzymes that upregulate cancer progression were conducted. The metal complexes showed moderate to strong interactions (<i>K</i> <sub><i>b</i></sub> ca.10<sup>4</sup>) with calf thymus DNA (CT-DNA) and BSA. On BSA, the metal complexes were predominantly bound in Subdomain IIIA. Ethidium bromide's (EtBr) competitive binding titrations and docking simulations suggested that these complexes are bimodal DNA binders, functioning both as groove binders and partial intercalators. The rates of chloride substitutions decreased in the order: <b>PdL1Cl</b> > <b>PdL2Cl</b> > <b>PdL3Cl</b> and <b>PtL1Cl</b> > <b>PtL2Cl</b> > <b>PtL3Cl</b>. Molecular docking of <b>PtL1Cl</b> predicted stronger binding affinity towards proteins associated with the inhibition of proteases for cervical (PDB: 5VBN), breast (4DRH) and prostate cancers (PDB: XPO1). The in vitro cytotoxic effects of uncoordinated ligands (<b>L1-L3</b>) and their respective <b>Pt/PdL1Cl-3</b> metal complexes were tested at a single dose of 10 μM in the human breast (MCF-7, T47D and MDA-MB-231), cervical (HeLa and CaSki) and pancreatic (PANC-1 and CFPAC-1) cancer cell lines, as well in a noncancerous human dermal fibroblasts (FG-0) cell line. The <b>Pt/PdL1Cl</b> complexes showed promise as lead inhibitory compounds against breast (T47D, MDA-MB-231) and pancreatic (PANC-1) cancer cells. The efficacy of <b>PtL1Cl</b> against the T47D cell line was superior to that of the anticancer drug cisplatin.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"6206843"},"PeriodicalIF":4.1,"publicationDate":"2026-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12960781/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147375847","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
Tolcapone Interferes With Key Pathological Features in Alzheimer's Disease. 托尔卡彭干扰阿尔茨海默病的关键病理特征。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-03-03 eCollection Date: 2026-01-01 DOI: 10.1155/bca/1036276
Alessia Distefano, Damiano Calcagno, Giuseppe Grasso, Olivier Monasson, Elisa Peroni, Valentina Oliveri
{"title":"Tolcapone Interferes With Key Pathological Features in Alzheimer's Disease.","authors":"Alessia Distefano, Damiano Calcagno, Giuseppe Grasso, Olivier Monasson, Elisa Peroni, Valentina Oliveri","doi":"10.1155/bca/1036276","DOIUrl":"https://doi.org/10.1155/bca/1036276","url":null,"abstract":"<p><p>Tolcapone, a clinically approved drug for the treatment of Parkinson's disease as an adjunct therapy, has recently emerged as a potential modulator of amyloid-β aggregation and toxicity, which are hallmark features of Alzheimer's disease and are also involved in ocular neurodegenerative disorders, including glaucoma and age-related macular degeneration. Despite these noteworthy findings, the molecular basis of the interaction between amyloid-β and tolcapone remains poorly understood, and the mechanisms by which tolcapone affects metal-amyloid-β species have yet to be explored. In this work, we investigate the binding interactions of tolcapone with both copper-free amyloid-β and copper-associated amyloid-β complexes, using a combination of techniques including UV-vis spectroscopy, circular dichroism, mass spectrometry, and surface plasmon resonance. The results reveal that tolcapone binds directly to amyloid-β monomers. Furthermore, in vitro assays confirm the capacity of tolcapone to act as a radical scavenger and to compete with amyloid-β for the binding of copper ions. Altogether, our findings suggest that tolcapone exerts a multifaceted protective effect, potentially inhibiting toxic metal-free and metal aggregation pathways by preventing metal coordination to amyloid-β or disrupting preformed amyloid-β-metal complexes, thus offering new perspectives to explore and develop its analogs for the treatment of neurodegenerative disorders.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"1036276"},"PeriodicalIF":4.1,"publicationDate":"2026-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12956839/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147363632","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
A Glimpse in the Metal Ion Selectivity Rules: Zn(II), Cd(II) and Co(II) Interplay With Different Protein Coordination Spheres in Determining Variable Thermal Stability and Folding Scenarios. 金属离子选择规则的一瞥:锌(II), Cd(II)和Co(II)与不同蛋白质配位球的相互作用决定了不同的热稳定性和折叠场景。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-02-27 eCollection Date: 2026-01-01 DOI: 10.1155/bca/3380419
Martina Dragone, Gaetano Caputo, Gianluca D'Abrosca, Getasew Shitaye, Ilaria Baglivo, Paolo Vincenzo Pedone, Luigi Russo, Roberto Fattorusso, Gaetano Malgieri, Carla Isernia
{"title":"A Glimpse in the Metal Ion Selectivity Rules: Zn(II), Cd(II) and Co(II) Interplay With Different Protein Coordination Spheres in Determining Variable Thermal Stability and Folding Scenarios.","authors":"Martina Dragone, Gaetano Caputo, Gianluca D'Abrosca, Getasew Shitaye, Ilaria Baglivo, Paolo Vincenzo Pedone, Luigi Russo, Roberto Fattorusso, Gaetano Malgieri, Carla Isernia","doi":"10.1155/bca/3380419","DOIUrl":"https://doi.org/10.1155/bca/3380419","url":null,"abstract":"<p><p>Models designed to study protein/metal ion interaction are helpful to provide insights into the rules of metal ion selectivity. In this context, the prokaryotic zinc finger family Ros/MucR offers an example of several naturally occurring homologues binding a structural zinc ion with coordination spheres characterized by different amino acid arrays. In particular, Ros87, the zinc binding domain of the protein Ros from <i>A. tumefaciens,</i> binds Zn(II) with a classical Cys<sub>2</sub>His<sub>2</sub> coordination sphere, but most of its homologues show a substitution of the second cysteine by an aspartate. In this study, the binding properties to Zn(II), Co(II) and Cd(II) of the protein Ros87-C27D, Ros87 mutant with a CysAspHis<sub>2</sub> coordination sphere, are investigated by means of UV-vis, CD and NMR spectroscopies. Dissociation constants, structural effects and the resulting mechanisms of folding are compared with the wild-type protein bearing the classical Cys<sub>2</sub>His<sub>2</sub> coordination sphere. CysAspHis<sub>2</sub> coordination sphere induces a two-state mechanism of folding in the presence of all three different metals, while, differently in the case of Ros87 complexed to Zn(II) or Co(II), the presence of the second cysteine in the coordination sphere leads to the formation of a stable metal binding folding intermediate. Our study underlines how the interplay between the different metal ions and the coordinating amino acid sets is determinant in defining the different Kds and the folding pathway of a given protein.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"3380419"},"PeriodicalIF":4.1,"publicationDate":"2026-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12948726/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147324675","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
Ag-Decorated Hydrogen Molybdenum Bronze Nanotubes as Dual-Action Agents Against Bacillus subtilis: Experimental and Theoretical Insights Into Membrane Damage and Protein Interference. ag修饰的氢钼青铜纳米管作为抗枯草芽孢杆菌的双作用剂:膜损伤和蛋白质干扰的实验和理论见解。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-02-24 eCollection Date: 2026-01-01 DOI: 10.1155/bca/9270509
Shabnam Yavari, Neda Eghtesadi, Kayode Olaifa, Darya Shafiee, Amir H Montazer, Reza Rasuli, Ebrahim Nemati-Kande, Forough Pakzadi, Sorour Faramarzi, Mehdi Shafiee
{"title":"Ag-Decorated Hydrogen Molybdenum Bronze Nanotubes as Dual-Action Agents Against <i>Bacillus subtilis</i>: Experimental and Theoretical Insights Into Membrane Damage and Protein Interference.","authors":"Shabnam Yavari, Neda Eghtesadi, Kayode Olaifa, Darya Shafiee, Amir H Montazer, Reza Rasuli, Ebrahim Nemati-Kande, Forough Pakzadi, Sorour Faramarzi, Mehdi Shafiee","doi":"10.1155/bca/9270509","DOIUrl":"https://doi.org/10.1155/bca/9270509","url":null,"abstract":"<p><p>Bacterial biofilms are a persistent challenge in industrial settings such as water treatment and food processing, contributing to antimicrobial resistance, operational inefficiencies, and environmental burden. Here, we report on the synthesis and multiscale evaluation of hydrogen molybdenum bronze nanosheets (HMB-NSHs) and their silver-decorated nanotube derivatives (Ag-decorated HMB-NTs), produced via an arc discharge method. High-resolution structural analyses revealed crystalline, ultrathin HMB sheets and tubular architectures adorned with uniformly distributed Ag nanoparticles (∼3-5 nm). While HMB-NSHs were biologically inert, Ag-decorated HMB-NTs demonstrated potent antibacterial effects against <i>Bacillus subtilis</i>, inhibiting planktonic growth (75.7%), biofilm formation (77.7%), and biofilm eradication (64.3%) at 25 μg/mL. Complementary SEM and fluorescence microscopy visualizations revealed pronounced morphological membrane damage such as wrinkling, roughening, and biofilm reduction signatures absent in control and HMB-treated samples, facilitating metal ion deposition and localized oxidative stress. At the molecular level, multiscale computational modeling, including molecular docking, DFT, QTAIM, RDG, and IGM analyses, provided atomic-resolution insights into dual-site antibacterial action. The Ag and HMB moieties interact favorably with both the cell-wall penicillin-binding protein (PDB ID: 4WO7) and intracellular division regulator FtsZ (PDB ID: 2VAM), forming energetically stable complexes. QTAIM metrics confirmed extensive van der Waals and hydrogen bonding networks with 4WO7, whereas RDG and IGM surfaces visualized dense noncovalent contact regions. Ag-FtsZ interactions, though weaker, suggest possible disruption of cell cycle machinery upon internalization. These findings establish Ag-decorated HMB-NTs as a dual-function nanomaterial: HMB scaffolds promote surface adhesion and stability, whereas Ag enables membrane destabilization and intracellular disruption. Together, these processes highlight membrane damage and protein interference as the primary antibacterial mechanisms, underscoring their potential as a next-generation antibacterial platform, particularly against biofilm-forming and industrially relevant bacteria such as <i>Bacillus subtilis</i>.</p>","PeriodicalId":8914,"journal":{"name":"Bioinorganic Chemistry and Applications","volume":"2026 ","pages":"9270509"},"PeriodicalIF":4.1,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12930300/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147289055","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
Shape-Directed Hydrothermal Design of Zinc Oxide Nanoparticles for Antimicrobial and Anticancer Applications. 用于抗菌和抗癌应用的氧化锌纳米颗粒的形状定向水热设计。
IF 4.1 3区 化学
Bioinorganic Chemistry and Applications Pub Date : 2026-02-23 eCollection Date: 2026-01-01 DOI: 10.1155/bca/9949719
Elvan Hasanoğlu Özkan, Nurdan Kurnaz Yetim, Hamit E Kızıl, Hatice Öğütçü
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