Bioinorganic Chemistry And Applications[JOURNAL]
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200 papers
Eco-Friendly Synthesis of Extract-Mediated Nickel Oxide Nanoparticles for Antibacterial and Catalytic Wastewater Applications: Experimental and Molecular Docking Evidence.
Al-Hamoud GA, Amina M, Al-Yousef HM … +3 more , Mateen A, Alrashoudi RH, Alhumaidan OS
Bioinorg Chem Appl · 2026 · PMID 42369166 · Full text
Green synthesis of nanomaterials offers a sustainable approach for water remediation. In this study, nickel oxide nanoparticles (NiONPs) were synthesized using the L. head (CSH) extract via an eco-friendly, cost-effecti...
Green synthesis of nanomaterials offers a sustainable approach for water remediation. In this study, nickel oxide nanoparticles (NiONPs) were synthesized using the L. head (CSH) extract via an eco-friendly, cost-effective route and evaluated for antibacterial and catalytic performance. Phytochemicals present in the CSH extract directed nanoparticle nucleation and growth, producing uniformly dispersed CSH-NiONPs with enhanced functional properties. The shape and morphologies of the prepared CSH-NiONPs were studied through different analytical techniques. A characteristic UV-vis absorption band at 328 nm was observed, while XRD analysis revealed an average crystallite size of 26.57 nm. SEM-EDX and HR-TEM analyses confirmed particle sizes in the range of 18-45 nm along with elemental purity. The biosynthesized CSH-NiONPs exhibited a strong antibacterial activity against and , with inhibition zones of 38.12 ± 0.28 mm and 41.12 ± 0.22 mm and low MICs of 9.76 and 3.12 μg/mL, respectively. Molecular docking showed that while gentamicin strongly binds aminoglycoside 3-N-acetyltransferase, CSH-NiONPs interact weakly and nonspecifically, indicating minimal potential to promote resistance. Moreover, CSH-NiONPs efficiently catalysed NaBH-assisted reduction of 4-nitrophenol, achieving ∼95% conversion in 15 min. These findings demonstrate CSH-NiONPs as multipurpose, sustainable nanomaterials for simultaneous microbial and chemical water remediation.
Synthesis, Structural Characterization, and DFT Studies of Fe(III), Co(II), and Ni(II) Mixed-Ligand Complexes With Albendazole and Nifuroxazide With Molecular Docking Against Respiratory Pathogen Targets.
S YA, El-Lateef HMA, Khalaf MM … +1 more , Abdou A
Bioinorg Chem Appl · 2026 · PMID 42327928 · Full text
In this study, the structural, electronic, and biological characteristics of newly synthesized transition metal complexes FeABNF, CoABNF, and NiABNF, resulting from the chelation compounds albendazole (AB) and nifuroxazi...
In this study, the structural, electronic, and biological characteristics of newly synthesized transition metal complexes FeABNF, CoABNF, and NiABNF, resulting from the chelation compounds albendazole (AB) and nifuroxazide (NF), were studied. The synthesized compounds were found to have excellent yields with high percentage yields (∼80%). Thermal analysis showed that these complexes were highly stable with decomposition temperatures above 300°C. Molar conductivity tests revealed that FeABNF is a 1:1 electrolyte with a value of 38.95 Ω·cm·mol, NiABNF is a 1:2 electrolyte with a value of 88.17 Ω·cm·mol, while CoABNF is a nonelectrolyte with a value of 9.86 Ω·cm·mol. FT-IR analysis proved that these complexes are bidentate due to their N and O donor atoms. The electronic spectra and magnetic moments confirmed that these compounds had octahedral geometry. The DFT calculation and biological assays showed that the complexes exhibited enhanced antimicrobial activity compared to the free ligands. The investigated compounds exhibited variable antibacterial and antifungal activities, with the metal complexes generally showing enhanced activity compared to the free ligands. However, the degree of activity was found to depend on the nature of the metal ion and the tested microbial strain. The most potent antibacterial action was exhibited by NiABNF and CoABNF complexes, which exhibited 28-30-mm inhibition zones and 91%-94% activity index, and good antifungal activity against , 20 mm. Anti-inflammatory activity order was determined as the NiABNF complex with IC: 56.97 μM and 93% inhibition. These findings were supported at the molecular docking level, as the NiABNF complex had the highest binding affinity to DNA gyrase B (PDB: 4DUH, -8.90 kcal/mol) and SARS-CoV-2 main protease (6LU7, -9.40 kcal/mol) via hydrogen bonding and hydrophobic interactions, which make it a promising therapeutic agent. Both experimental and computational studies reported the same order of bioactivity: NiABNF > CoABNF > FeABNF > free ligands.
Synthesis, Characterization, and Anticancer Activity of Vanadium (III) Complexes With Pyridyl-Triazole Ligands.
Alvarez-Ricardo Y, Jaramillo DN, Orjuela AL … +6 more , Jiménez-Díaz E, Alí-Torres J, Macías MA, Arenaza-Corona A, Morales-Morales D, Hurtado JJ
Bioinorg Chem Appl · 2026 · PMID 42311795 · Full text
Three new V (III) complexes with triazole ligands were obtained and fully characterized using regular analytical techniques, including the unequivocal determination of the structure of complex by single-crystal x-ray...
Three new V (III) complexes with triazole ligands were obtained and fully characterized using regular analytical techniques, including the unequivocal determination of the structure of complex by single-crystal x-ray diffraction analysis. The formation of involves an oxidation process from V (III) to V (IV) that can occur under conditions similar to those of biological assays. The biological activity of these complexes was explored on six human cancer cell lines exhibiting lower IC50 values in five of them when compared to cisplatin, noteworthy the fact that complex probed to be more effective against A549 (IC = 1.07 μM). At the same time, showed remarkable activity on HCT-15 (IC = 3.14 μM). Interestingly and in contrast to cisplatin, the vanadium complexes showed little effect on the healthy fibroblast cells. Mechanistic studies of cell death revealed that selectively induced late-stage apoptosis without promoting necrosis in A549 cells, whereas did not significantly affect apoptotic or necrotic pathways under the conditions tested. These results were complemented with in silico studies and displacement assays, demonstrating the affinity of the complexes for DNA. The results presented in this work are relevant, as there are few reports of similar V (III) compounds explored as potential anticancer agents.
Plant-Mediated Fabrication of Silver Nanoparticles Using Flowers: In Vitro Evaluation of Antibacterial, Antifungal, Antioxidant, and Toxic Effects and Biomolecular Interactions With ct-DNA and HSA.
Shahabadi N, Shalmashi K, Shokraei S … +1 more , Soltani L
Bioinorg Chem Appl · 2026 · PMID 42306284 · Full text
This study aimed to biosynthesize silver nanoparticles using flower -an Iranian medicinal plant extract rich in bioactive phytochemicals and evaluate their antimicrobial potential through complementary broth microdiluti...
This study aimed to biosynthesize silver nanoparticles using flower -an Iranian medicinal plant extract rich in bioactive phytochemicals and evaluate their antimicrobial potential through complementary broth microdilution (MIC/MBC) and agar well diffusion assays, alongside an assessment of their anticancer and biomolecular interaction properties. The synthesis leverages natural reducing and capping agents (phenols, flavonoids, tannins) to produce stable, spherical AgNPs (FEA@AgNPs), characterized by UV-vis ( = 439 nm), XRD (∼10 nm, face-centered cubic), FESEM, TEM (6.61 nm), and FT-IR. A zeta potential of -32.68 mV confirmed colloidal stability. The nanoparticles were stable for over a month, indicating that flower aqueous extract is suitable for their preparation and stabilization. FEA@AgNPs showed moderate activity against (12 vs. 24 mm for gentamicin) and no agar diffusion inhibition against , despite a MIC of 37.5 μg/mL in the broth assay. The antioxidant results show 55% DPPH radical scavenging at 160 μg/mL. Notably, they induced dose- and time-dependent cytotoxicity in PC3 and AGS cancer cells, with IC values of 7.49 and 5.33 μg/mL, respectively, after 72 h ( < 0.05). Spectroscopic analyses revealed a strong binding affinity to calf thymus DNA and human serum albumin, suggesting biomolecular interaction capacity relevant to drug delivery. This work provides a green, efficient route to multifunctional AgNPs, bridging traditional herbal knowledge and bioinorganic nanomedicine for potential applications in infection control and oncology.
Synthesis, Characterization, Electrochemical Properties, and DNA-Binding Studies of Novel Schiff Base Metal Complexes: Catalysts in Transfer Hydrogenation of D-Glucose-Like Aldose Reductase Mimetics.
Çapan A, Levent A, Uruş S … +2 more , Yalçın Ş, Sönmez M
Bioinorg Chem Appl · 2026 · PMID 42170667 · Full text
In this study, the Schiff base (E)-4-chloro-2-(((4-(phenylamino)phenyl)imino)methyl)phenol (Sadpa), obtained from the condensation reaction of 5-chloro-2-hydroxybenzaldehyde and N-phenylbenzene-1,4-diamine and reported f...
In this study, the Schiff base (E)-4-chloro-2-(((4-(phenylamino)phenyl)imino)methyl)phenol (Sadpa), obtained from the condensation reaction of 5-chloro-2-hydroxybenzaldehyde and N-phenylbenzene-1,4-diamine and reported for the first time in the literature, together with its Co(II) and Pd(II) complexes, was synthesized. The structure of the Schiff base was determined by spectroscopic methods such as elemental analysis, FT-IR, H/C-NMR, and XRD, while the structures of the metal complexes were examined in detail using FT-IR, UV-Vis, MS, thermal, and elemental analysis. Furthermore, the electrochemical behavior of both the Sadpa ligand and the Co(II) and Pd(II) complexes was investigated, as well as their potential interactions with DNA. The double cathodic peak observed in the Sadpa-Co and Sadpa-Pd complexes reveals the coexistence of both ligand and metal-centered redox processes. It is observed that the Sadpa-Pd(II) complex exhibits more stable and higher affinity binding than the Co(II) complex. This indicates that factors such as coordination geometry and charge density of the metal center play a decisive role in the DNA-binding behavior. In addition, the catalytic effects of the complexes in the transfer hydrogenation of D-glucose to D-sorbitol were investigated. The Sadpa-Pd(II) complex showed the most efficient and selective catalytic activity in the transfer hydrogenation of D-glucose to D-sorbitol under micorwave irradiation, with 97.98% selectivity for D-sorbitol at 96.50% conversion, indicating that it can act as a mimetic of the aldose reductase enzyme. Mannitol was produced as the only by-product in minor amounts during the catalysis.
Phytofabrication of Zinc Oxide Nanoparticles Using L. and Their Biomedical Applications.
Siddiqui MA, Azam M, J P SB … +6 more , Kumar S, Prasad R, Alomary MN, Ansari MA, Alharbi HOA, Alhumaidi MS
Bioinorg Chem Appl · 2026 · PMID 42051977 · Full text
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...
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 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 , , , and with MICs of 12.5 μg/mL for Gram-positive bacteria ( and ), 100 μg/mL for , and 12.5 μg/mL for . 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.
Guanidine-Based Ligands in Bioinorganic Chemistry: Coordination Modes and Applications in Anticancer Metallodrugs.
Del Campo-Balguerías A, Ocaña A, Bravo I … +1 more , Alonso-Moreno C
Bioinorg Chem Appl · 2026 · PMID 42016189 · Full text
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 stro...
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.
Cyclopalladated Complexes With Functionalized Diphosphanes as Promising Antifungal Scaffolds.
Malta-Luís C, Mariano C, Monteiro T … +10 more , Mendes FC, Villar-López M, Arana ÁJ, Sánchez L, García DV, Fernández A, Vila JM, Fernández JJ, Lenis-Rojas O, Pimentel C
Bioinorg Chem Appl · 2026 · PMID 41972015 · Full text
Invasive fungal infections, especially those caused by spp., have been classified as a serious global threat. The emergence of species intrinsically resistant to current drugs, along with the increase in acquired resist...
Invasive fungal infections, especially those caused by 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, , , , and from Schiff base-amine phosphanes and evaluated their antifungal potential. Specifically, we assessed their spectrum of activity against several medically relevant 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, and , 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.
RETRACTION: Novel Synthesis of Titanium Oxide Nanoparticles: Biological Activity and Acute Toxicity Study.
Applications BCA
Bioinorg Chem Appl · 2026 · PMID 41960142 · Full text
[This retracts the article DOI: 10.1155/2021/8171786.].
[This retracts the article DOI: 10.1155/2021/8171786.].
Photoactivation in Chemotherapeutic Compounds for Cancer Treatment: Opportunities Beyond Photodynamic Therapy.
Mbugua SN, Nyawade EA
Bioinorg Chem Appl · 2026 · PMID 41808688 · Full text
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 tiss...
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.
Substitution Kinetics, DNA/BSA Interactions, Cytotoxicity Evaluation and Computational Analysis of [-(azaaryl)amine)Pt(II)/Pd(II)Cl] Complexes, Azaaryl = Quinoline or Phenanthridine.
Dlamini PC, Medupe TT, Macharia LW … +5 more , Serala K, Prince S, Smith GS, Booysen IN, Mambanda A
Bioinorg Chem Appl · 2026 · PMID 41800191 · Full text
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 sit...
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 ( ca.10) 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: > > and > > . Molecular docking of 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 () and their respective 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 complexes showed promise as lead inhibitory compounds against breast (T47D, MDA-MB-231) and pancreatic (PANC-1) cancer cells. The efficacy of against the T47D cell line was superior to that of the anticancer drug cisplatin.
Tolcapone Interferes With Key Pathological Features in Alzheimer's Disease.
Distefano A, Calcagno D, Grasso G … +3 more , Monasson O, Peroni E, Oliveri V
Bioinorg Chem Appl · 2026 · PMID 41788972 · Full text
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 Al...
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.
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.
Dragone M, Caputo G, D'Abrosca G … +7 more , Shitaye G, Baglivo I, Pedone PV, Russo L, Fattorusso R, Malgieri G, Isernia C
Bioinorg Chem Appl · 2026 · PMID 41768784 · Full text
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 na...
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 binds Zn(II) with a classical CysHis 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 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 CysHis coordination sphere. CysAspHis 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.
Ag-Decorated Hydrogen Molybdenum Bronze Nanotubes as Dual-Action Agents Against : Experimental and Theoretical Insights Into Membrane Damage and Protein Interference.
Yavari S, Eghtesadi N, Olaifa K … +7 more , Shafiee D, Montazer AH, Rasuli R, Nemati-Kande E, Pakzadi F, Faramarzi S, Shafiee M
Bioinorg Chem Appl · 2026 · PMID 41743859 · Full text
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 r...
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 , 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 .
Shape-Directed Hydrothermal Design of Zinc Oxide Nanoparticles for Antimicrobial and Anticancer Applications.
Özkan EH, Yetim NK, Kızıl HE … +1 more , Öğütçü H
Bioinorg Chem Appl · 2026 · PMID 41737724 · Full text
The emergence of antibiotic-resistant bacteria represents one of the most pressing challenges in global healthcare. In this study, metal oxide-based nanomaterials are gaining prominence due to their antimicrobial and ant...
The emergence of antibiotic-resistant bacteria represents one of the most pressing challenges in global healthcare. In this study, metal oxide-based nanomaterials are gaining prominence due to their antimicrobial and anticancer potential. In the present study, six new zinc oxide nanoparticles (ZnO-NPs) synthesized via the hydrothermal method using different surfactants were characterized, and their biological activities were evaluated. ZnO-NPs, whose structural properties were determined by a range of analytical methods including BET, FT-IR, SEM-EDX, XRD, and XPS, exhibited significant antibacterial and antifungal effects on a range of bacterial and fungal strains. The study revealed that variations in the morphology and surface area had a direct impact on antimicrobial efficacy. In antimicrobial assays, the inhibition zones ranged from 10.5 mm to 25.5 mm, with ZnO-6 exhibiting the highest efficacy against (25.5 mm). In cytotoxicity assays, ZnO-6 demonstrated the strongest anticancer potential against H460 cells with the lowest IC value of 31.9 µg/mL. Furthermore, a strong correlation was revealed between the physicochemical properties of ZnO-NPs and their anticancer activity, as evidenced by the results of tests conducted on H460 lung cancer cells. Specifically, ZnO-6, which possesses a flower-like morphology and the highest surface area, exhibited the strongest anticancer effect with an IC value of 31.9 µg/mL. The parallel enhancement in both antimicrobial and anticancer activities observed in ZnO-6 suggests a common underlying mechanism, likely driven by the high surface area and specific flower-like morphology that facilitates increased interaction with cell membranes and ROS generation. The findings demonstrate that the controlled design of ZnO-NPs in terms of morphology and surface area offers significant potential in both antimicrobial and anticancer applications.
Synthesis, Topological, and Biological Studies of a Novel One-Dimensional Hg(II) Coordination Polymer With Antibacterial and Anticancer Potentials.
Alaei S, Mohammadi K, Hayati P … +5 more , Gharibi S, Khoradmehr A, Asen Z, Janczak J, Alexandrov EV
Bioinorg Chem Appl · 2026 · PMID 41624691 · Full text
A novel one-dimensional mercury coordination polymer (CP), identified as [(μ-Cl)(Ina)Hg(μ-Cl)Hg(μ-Cl)(Ina)] () (where Ina represents isonicotinic acid or 4-pyridinecarboxylic acid), was synthesized via the interaction of...
A novel one-dimensional mercury coordination polymer (CP), identified as [(μ-Cl)(Ina)Hg(μ-Cl)Hg(μ-Cl)(Ina)] () (where Ina represents isonicotinic acid or 4-pyridinecarboxylic acid), was synthesized via the interaction of isonicotinic acid with mercury(II) salt. This synthesis was achieved through two distinct experimental approaches: layering methods for the formation of single crystals () and sonochemical irradiation for the production of nanostructures ('). The structural characterization of () was performed using X-ray diffraction and crystallography techniques. Further characterization involved a range of methods, including X-ray powder diffraction (XRD), infrared (IR) spectroscopy, scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and Hirshfeld surface analysis (HSA). The CP of () features two types of metal centers, exhibiting coordination numbers of 5 and 6. In this structure, each mercury atom is coordinated to chlorine, nitrogen, and oxygen atoms derived from the ligands. Additionally, antibacterial properties were tested on seven Gram-positive bacteria and nine Gram-negative bacteria. Anticancer properties were tested on both OCAR3 (cancer) and VERO (normal) cells; as a result, the antibacterial and anticancer activities of nanoparticle [(μ-Cl)(Ina)Hg(μ-Cl)Hg(μ-Cl)(Ina)] (') were evaluated, revealing that the antibacterial efficacy of the nanoparticles was comparable to that of standard antibiotics. The anticancer properties were effective in destroying cancer cells while preserving the integrity of normal cells. Consequently, both antibacterial and anticancer properties demonstrated promising results.
Therapeutic Potential of Sodium Selenite Application for Promoting Radioactive Iodine Avidity in Papillary Thyroid Cancer.
Oh JM, Rajendran RL, Gangadaran P … +2 more , Hong CM, Ahn BC
Bioinorg Chem Appl · 2026 · PMID 41608313 · Full text
OBJECTIVE: Radioactive iodine therapy is a mainstay for recurrent and metastatic differentiated thyroid cancer. However, a substantial portion of differentiated thyroid cancer patients exhibits dedifferentiation status w...
OBJECTIVE: Radioactive iodine therapy is a mainstay for recurrent and metastatic differentiated thyroid cancer. However, a substantial portion of differentiated thyroid cancer patients exhibits dedifferentiation status with a lack of sodium iodide symporter functionality and expression, as well as downregulated thyroid-specific proteins and transcription factors. Eventually, this status is connected to the failure of radioactive iodine therapy with an overall poor prognosis. Selenium, an essential trace element, has antitumor, antioxidant, immunomodulatory, and antiviral activities and is required for thyroid hormone synthesis and metabolism, and it was reported that sodium selenite induces radioactive iodine uptake in thyroid tissue in rats. However, the relationship between sodium selenite and differentiation markers in differentiated thyroid cancer remains unclear. METHODS: We investigated whether sodium selenite enhances radioactive iodine avidity and reinforces I therapeutic effects in papillary thyroid cancer cells. We also analyzed changes in selected signaling pathways and factors induced by sodium selenite treatment. RESULTS: Sodium iodide symporter, thyroid-specific proteins, and transcription factors were upregulated by sodium selenite, increasing radioactive iodine avidity and radioactive iodine-mediated cytotoxicity in papillary thyroid cancer cells. Sodium selenite downregulated the MAPK, PI3K-AKT, and GSK-3β/β-catenin signaling pathways. CONCLUSION: Sodium selenite may serve as a promising adjunct to enhance radioactive iodine avidity in papillary thyroid cancer cells.
Schiff Bases and Metal Complexes as Multifunctional Platforms: Bridging Bioinorganic Chemistry, Catalysis, Sensing, and Energy Applications.
Barreras-Contreras LA, Moreno-Urbalejo J, Chávez-Urías IF … +5 more , Plascencia-Martínez DF, Hernández-Martínez D, Velázquez-Contreras EF, López-Gastélum KA, Rocha-Alonzo F
Bioinorg Chem Appl · 2025 · PMID 41480485 · Full text
Schiff bases are imine derivatives widely recognized for their structural versatility and ability to coordinate transition metals, giving rise to compounds with remarkable physicochemical and biological properties. Over...
Schiff bases are imine derivatives widely recognized for their structural versatility and ability to coordinate transition metals, giving rise to compounds with remarkable physicochemical and biological properties. Over the last decade, numerous studies have reported their diverse applications, ranging from antimicrobial, antioxidant, and anticancer activities to roles as catalysts, fluorescent sensors, and photovoltaic materials. While previous reviews have focused on specific aspects-such as biomedical activity, catalytic transformations, or luminescent sensing-there is still a lack of an integrative perspective that connects these different areas. In this review, we provide a comprehensive analysis of recent advances in Schiff bases and their metal complexes, emphasizing their multifunctionality at the interface of bioinorganic chemistry and materials science. We highlight how metal coordination enhances biological activity, how structural design expands the scope of asymmetric catalysis, how Schiff-based fluorophores are emerging as versatile luminescent sensors, and how aromatic and metal-Schiff derivatives contribute to the development of next-generation photovoltaic devices. By offering this transversal vision, the article aims to bridge fragmented knowledge and outline future research directions to fully exploit the potential of Schiff bases in medicine, catalysis, sensing, and sustainable energy.
Honey-Based Sodium Alginate-Polyvinyl Alcohol Hydrogel Containing Green-Synthesized Chitosan-Zinc Oxide Nanoparticles for Wound Healing.
Shahabadi N, Zendehcheshm S, Khademi F
Bioinorg Chem Appl · 2025 · PMID 41472670 · Full text
Chronic wounds remain a global health challenge, necessitating advanced materials and methods for effective treatment. Nanotechnology offers promising solutions by enabling innovative wound care strategies. This study pr...
Chronic wounds remain a global health challenge, necessitating advanced materials and methods for effective treatment. Nanotechnology offers promising solutions by enabling innovative wound care strategies. This study presents an antibacterial hydrogel composed of polyvinyl alcohol (PVA)/sodium alginate (SA)/honey (PSH) embedded with chitosan (CH)-coated zinc oxide nanoparticles (ZnO NPs-CH). The ZnO NPs were synthesized via a green method using phytochemicals from (wild cherry) wood extract, then coated with CH to enhance antibacterial properties. These NPs were incorporated into the PSH matrix to form a novel nanocomposite hydrogel (PSH/ZnO NPs-CH). Characterization using FE-SEM, EDX, and ATR-FTIR confirmed successful integration and revealed a porous structure beneficial for water absorption and gas exchange. Swelling tests indicated controlled absorption in the ZnO NPs-CH hydrogel, suitable for exudative wounds. Antibacterial assays showed strong activity against () and (). wound healing studies demonstrated enhanced tissue regeneration and reduced inflammation. Overall, the PSH/ZnO NPs-CH hydrogel shows promise as a multifunctional wound dressing. However, further evaluations are necessary to confirm the reliability and validity of these findings.
Inorganic Nanoparticles Containing Plant-Derived Compounds for Kidney Treatment.
Heya MS, García-Hernández DG, García-Ponce R … +1 more , Fernandes D
Bioinorg Chem Appl · 2025 · PMID 41415214 · Full text
Several studies have shown that many kidney diseases are associated with oxidative stress caused by factors such as changes in diet, environmental pollution, and the excessive use of medications, which contribute to cell...
Several studies have shown that many kidney diseases are associated with oxidative stress caused by factors such as changes in diet, environmental pollution, and the excessive use of medications, which contribute to cellular damage in the kidneys. This pathology, whose prevalence is increasing, presents a significant challenge for current medicine due to the multiple physiological barriers that limit the effectiveness of conventional treatments. In response to this issue, inorganic nanoparticles synthesized through green methods, using derivatives from medicinal plants as antioxidants (such as flavonoids and polyphenols, among others), have emerged as a promising therapeutic alternative. This approach not only avoids the use of toxic chemical reagents but also allows for the design of nanoparticles with specific physicochemical properties, such as size, charge, and shape, which facilitate their passage through the digestive system, evasion of the immune system, and targeted delivery to renal tissue. The objective of this study is to analyze the potential of inorganic nanoparticles as an innovative therapeutic strategy for the treatment and prevention of kidney diseases, leveraging their ability to protect the kidneys from oxidative damage caused by reactive oxygen species.
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