In this study, a tetradentate 1,3-propanediamine-diacetate (1,3-pdda) was utilized for the synthesis of a dinuclear gallium(III) complex, uns--[Ga(1,3-pdda)(-OH)] 2HO (). Complex was characterized using IR and NMR (H and C) spectroscopy, and its crystal structure was determined by single-crystal X-ray diffraction analysis. Both Ga(III) ions in Complex exhibit octahedral geometry, with each ion coordinated by two nitrogen and two oxygen atoms from the 1,3-pdda ligand, as well as two oxygen atoms from the bridging hydroxyl groups. IR and NMR (H and C) spectra were simulated using DFT methods, showing a high degree of correlation with experimental data. Hirshfeld surface analysis provided insights into intermolecular interactions, with H⋯O and H⋯H interactions contributing significantly to the crystal stability. The antimicrobial potential of Complex was evaluated alongside previously synthesized gallium(III) complexes, Na[Ga(1,3-pdta)]·3HO () and Ba[Ga(1,3-pndta)]·3HO (), with 1,3-pdta (1,3-propanediamine--tetraacetate) and 1,3-pndta ((±)-1,3-pentanediamine--tetraacetate), respectively. Among all the tested microbial species, the gallium(III) complexes have shown selective activity against PAO1 strain and were able to reduce pyocyanin production by 40-43% in the clinical isolate BK25H of this bacterium. Moreover, Complexes - can modulate the quinolone-mediated quorum sensing system in 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 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 binds strongly to the Site I on BSA, with weaker interactions at the Site II. While spectrofluorimetric studies showed that Complex 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.

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 HO. It was observed that the prepared biosensor has a working range at low concentrations (1.0 × 10-1.0 × 10 M (  = 1.0)) and a low detection limit (1.0 × 10 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.

This study investigated the cytotoxic properties of three naphthyl-substituted ruthenium(II)-arene complexes (, , and ) 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 for the first time. The complexes were fully characterized by H, C, and 2D NMR spectroscopies, and their interactions with DNA and bovine serum albumin (BSA) were evaluated. Binding constant (Kb) determinations revealed values of 2.95 × 10 M, 2.27 × 10 M, and 3.70 × 10 M for , , and with FS-DNA, respectively, while exhibited a significantly higher binding constant of 0.86 × 10 M with BSA, indicating a favorable binding interaction. Molecular docking of was performed against BSA, EGFR wild type (EGFRWT), and mutant EGFRT790M. exhibited docking scores of -178.827, -204.437, and -176.946 kJ/mol with BSA, EGFRWT, and EGFRT790M, respectively. Cytotoxicity assays revealed that exhibited superior activity against MCF-7 and Caco-2 cells compared to HepG2 cells. Following a 24-h exposure, exhibited an IC of 1.39 μg/mL against the Caco-2 cell line. Morphological analysis suggested that all complexes induced apoptosis in cancer cells. Notably, 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.

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 (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.

Magnesium oxide nanoparticles (MgONPs) have been fabricated by several approaches, including green chemistry approach due to diverse application and versatile features.

Complexes [RuCp(PPh)(HdmoPTA)][PtCl] (), [RuCp(PPh)-µ-dmoPTA-1κ:2κ--Pt(κ -CHN(CH)CHO)][PtCl] (), [RuClCp(PPh) (HdmoPTA)][PtCl] (), and [RuClCp(PPh)-µ-dmoPTA-1κ:2κ--Pt(κ -CHN(CH)CHO)][PtCl] () have been synthesized and characterized by NMR, IR, and crystal structure of was obtained by single crystal X-Ray diffraction. Antiproliferative activity of was assessed against six human solid tumor cell lines and compared to cisplatin as a standard, showing GI values in the submicromolar range.

The oxidative stress of the body can destroy the homeostasis and lead to a series of adverse outcomes. In recent years, nano-enzyme materials, as a new hotspot in materials science, have been gradually applied in various fields because of their enzyme-like activities at the nanoscale and their ability to regulate various physiological processes in organisms. In this study, we developed a novel cerium oxide (CeO) nano-enzyme drug and demonstrated that the nano-enzyme can effectively improve oxidative stress levels and delay disc degeneration in rats. The experimental results confirmed that in in vitro experiments, the novel cerium oxide nano-enzyme could significantly reduce the ROS level in cells, delay cell senescence, reduce the level of apoptosis, and improve the metabolic state of nucleus pulposus cells. At the same time, it maintains low toxicity to cells. At the animal level, imaging and histomorphological evaluation showed that the novel cerium oxide nano-enzyme could significantly improve the disc height index, MRI Pfirrmann grade, and histological grade scores in rats. In summary, we have developed a successful cerium oxide nano-enzyme, which can be used to reduce the degeneration level of intervertebral disc and provide a new potential idea for clinical treatment of patients with lumbar disc herniation.

Pancreatic ductal adenocarcinoma (PDAC) is a highly aggressive type of solid tumor that is becoming more common. -[PtCl (NH)] (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( -CHOR) (DMSO) (phen)] (in short Pt-EtORSOphen;  = Me, ; Et, ), 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 and in BxPC-3 cells. However, it did appear to influence the rapid loss of mitochondrial membrane potential (ΔΨ), suggesting that these complexes could potentially be used as mitochondria-targeted lipophilic cations in anticancer therapy.

[This retracts the article DOI: 10.1155/2022/1401995.].

This study investigates the green synthesis of zinc oxide nanoparticles (ZnO NPs) using the aqueous extract of the aquatic plant (greater duckweed) and evaluates their multifunctional properties. The ZnO NPs were synthesized via a sustainable method and characterized using UV-visible spectroscopy, TEM, FESEM, EDX, FTIR, and XRD analyses. UV-visible spectroscopy confirmed the formation of ZnO NPs with a characteristic absorption peak at ∼349 nm. TEM and FESEM analyses revealed spherical and nonspherical particles ranging from 20 to 70 nm. The antimicrobial activity of ZnO NPs was assessed against three bacterial strains (, , and ) and three fungal strains (, , and ). Notably, showed a maximum inhibition zone of 18 mm at 100 mg/mL, while exhibited the highest antifungal response with a zone of 22 mm and an activity index (AI) of 1.15, indicating comparable or superior activity to ketoconazole at higher concentrations. Molecular docking simulations using the crystal structure of YmaH (Hfq) protein (PDB ID: 3HSB) revealed strong noncovalent interactions with Zn atoms of the NPs, particularly involving HIS57 and LEU26 residues. Additionally, ZnO NPs demonstrated a noteworthy photocatalytic degradation (90.4%) of methylene blue dye under sunlight exposure. These results highlight the potential of -mediated ZnO NPs for use in antimicrobial therapies and environmental remediation applications.

Ten organometallic complexes of the general formula [M(-cymene)thiMeIm]NO (M = Ru, Os; MeIm = 1-methylimidazole, thi = 4-phenylthiazole) differing in their substituents on the 4-phenylthiazole scaffold were prepared and characterized by standard analytical methods. The antiproliferative activity of the compounds was investigated in human lung adenocarcinoma (A549), colon adenocarcinoma (SW480), and human ovarian teratocarcinoma (CH1/PA-1) cell lines. IC values were in the low micromolar range with two exceptions. Additionally, the cytotoxicity of selected compounds was determined in the HCT116 colon carcinoma cell line in both 2D (monolayer) and 3D (multicellular spheroid) cultures. For selected compounds, the capacity of ROS induction was investigated in SW480 cells. Cellular accumulation experiments, as well as studies regarding stability and reactivity in aqueous solution, were performed, providing conclusive explanations for the observed differences in cytotoxicity. Furthermore, amino acid and DNA interaction studies were performed to elucidate aspects of the mechanism of action. The obtained insight into the antiproliferative activity in multicellular spheroids compelled us to perform in vivo studies, revealing the unexpected therapeutic efficacy of an in vitro inactive complex.

In this study, zirconium oxide nanoparticles (ZrO NPs) were synthesized using astaxanthin (AST) rich extract (AZ) and subsequently conjugated with multiwalled carbon nanotubes (MWCNTs) (AZM) and functionalized with folic acid (FA) (FAZM) to develop a cancer-targeting nanocomposite with enhanced anticancer efficacy. The physicochemical properties of the synthesized materials were characterized using transmission electron microscopy (TEM), dynamic light scattering (DLS), electrophoretic light scattering (ELS), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FT-IR). FAZM exhibited the highest antioxidant activity, with IC values of 822.78 μg/mL against ABTS and 320.70 μg/mL against DPPH free radicals. Biocompatibility assessments revealed that FAZM exhibited little cytotoxicity in normal human skin cells and demonstrated improved hemocompatibility, as confirmed by a hemolysis assay. Furthermore, FAZM significantly inhibited the proliferation of MDA-MB-231 breast cancer cells, inducing apoptosis and exhibiting potent cytotoxic effects (IC: 115.84 μg/mL). These findings suggest that FA and MWCNTs enhance the cancer-targeting capability of AZ while maximizing its selective cytotoxicity against cancer cells. This study highlights that FA-functionalized MWCNT-conjugated ZrO NPs are a promising nanoplatform as an AST delivery system for targeted cancer therapy.

Human metapneumovirus (HMPV) is a respiratory pathogen of global concern, particularly affecting infants, the elderly, and immunocompromised individuals. Despite its prevalence, no targeted antiviral therapies are currently approved. In this study, we employed a structure-guided computational strategy to repurpose clinically approved metal-based drugs as potential HMPV inhibitors. A curated chemical library was screened against the HMPV fusion protein (PDB ID: 5WB0) using high-accuracy molecular docking, followed by molecular dynamics (MD) simulations (2000 ns), binding free energy calculations, and pharmacophore modeling. Top-ranked compounds-Auranofin, silver sulfadiazine, and gallium nitrate-exhibited superior binding affinities (ΔG_binding: -68.5 to -62.7 kcal/mol), stable protein-ligand complexes (RMSD: 2.1-2.4 Å), and consistent interaction profiles when benchmarked against known antivirals ribavirin and favipiravir. Quantum chemical descriptors derived from density functional theory (DFT) and molecular electrostatic potential (MESP) mapping confirmed their favorable electronic properties, including optimal HOMO-LUMO gaps and total energy stability. Furthermore, ADMET predictions revealed acceptable oral bioavailability, low predicted toxicity, and renal clearance profiles, though known risks such as gallium accumulation were acknowledged. This integrative study highlights the potential of repurposed metallodrugs as novel anti-HMPV agents, offering a rational and cost-effective path toward therapeutic advancement.

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 and . 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.

Research into the use of nanoparticles to enhance the delivery and efficacy of polyphenols is a topic of growing interest in the fields of nanotechnology, pharmacology and food science. Nanoparticles, due to their small size and high surface area, can improve the stability, solubility and bioavailability of polyphenols. Combining polyphenols with other bioactive compounds within nanoparticles can create synergistic effects, enhancing their overall therapeutic potential. In this work, we present a new polyethylene glycol (PEG) capping ligand modified with caffeic acid (CA), HS-PEG-CA and two types of gold nanoparticles: (i) coated with a PEG-thiol derivative functionalized with CA (HS-PEG-CA) (homofuncionalized NP) and (ii) HS-PEG-CA cationic carbosilane dendrons with antibacterial properties (heterofuncionalized NP). The antioxidant capacity of the CA, in three systems, has been studied by different techniques such as FRAP, DDPH and cyclic voltammetry, demonstrating that it is preserved when it is supported on the NP and increases when it is part of the PEG ligand. In addition, heterofuntionalized NP showed activity against and HS-PEG2K-CA ligand can effectively anchor to gold substrates.

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 IC 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.

Alzheimer's disease (AD) is the most common neurodegenerative disorder associated with cognitive decline and loss of memory. It is postulated that the generation of reactive oxygen species (ROS) in Fenton-like reaction connected with Cu(II)/Cu(I) redox cycling of the Cu(II)-aβ complex can play a key role in the molecular mechanism of neurotoxicity in AD. Semax (Met-Glu-His-Phe-Pro-Gly-Pro) is a synthetic regulatory peptide that possesses a high affinity for Cu(II) ions. The ability of the peptide Semax to inhibit the copper-catalyzed oxidation of aβ was studied in vitro and discussed. The results indicate that Semax is able to extract Cu(II) from Cu(II)-aβ species as well as to influence the redox cycling of the Cu(II)-aβ complex and decrease the level of associated ROS production. Finally, our data suggest that Semax shows cytoprotective properties for SH-SY5Y cells against oxidative stress induced by copper-catalyzed oxidation of the aβ peptide. This study provides valuable insights into the potential role of Semax in neurodegenerative disorders and into the design of new compounds with therapeutic potential for AD.

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 (MgNaVO·20HO) and investigated its structure stability as well as its antimelanoma effects. Results showed that the MgNaVO·20HO 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 IC 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 (IC = 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 (IC >> 70 μM) observed after 24 h of treatment. Thus, the MgNaVO·20HO compound displayed an advantage over cisplatin, which was reported to be much more aggressive to the keratinocyte cell line (IC = 23.9 μM). Moreover, it inhibited dose-dependently the adhesion of IGR39 cells to collagen (IC = 2.67 μM) and fibronectin, as well as their migration with an IC 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 MgNaVO·20HO compound to prevent and efficiently treat the growth and metastasis of melanoma.

In recent years, the development of multinuclear platinum complexes has introduced a new era in platinum-based chemotherapy, offering improved cytotoxicity and the ability to overcome resistance. However, these complexes still face challenges related to water solubility, biodistribution, and targeted delivery. This study provides a comprehensive investigation of a novel platinum (II) complex, [Pt(μ-bpy-2H) (Me)(dmso)] (C1), focusing on its DNA binding ability and anticancer activity. Computational and experimental approaches revealed that C1 binding to guanine bases and involvement of intercalative interactions. C1 exhibited cytotoxicity in both cisplatin sensitive and resistant cancer cell lines. To enhance the pharmacokinetic and pharmacodynamic properties of C1, it was encapsulated using poly (D, L-lactic-co-glycolic acid) (PLGA). Molecular dynamic simulations predicted the formation of stable C1/PLGA complexes during the early stages of simulation. Encapsulated C1 showed superior antitumor activity with significantly reduced side effects in tumor-bearing mouse models. In conclusion, this study highlights the novel platinum (II) complex C1 as a promising anticancer agent, especially when paired with PLGA encapsulation to improve its effectiveness and reduce side effects.

X-ray crystallography, spectroscopy, computational methods, molecular docking studies, and 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 PPh[Os(--cymene)Br(--CO)] () and [Os(--cymene) (--CO)PPh] () 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 DNA-binding study was accomplished using UV-Vis spectroscopy which showed that both and bond with DNA through an intercalation approach. The optimized molecular geometry, frontier molecular orbital (E and E) energies, global electrophilicity index (), chemical hardness (), chemical potential (), and the energy band gap (E-E) were calculated utilizing density functional theory (DFT) methods. Computed structural parameters (bond lengths and angles) support the experimental single-crystal XRD data.

The multifunctional properties of a new oxovanadium(V) complex [VO(L) (5-Cl-8-HQ)] containing a Schiff base derived from L-arginine and salicylaldehyde and 5-chloroquinolin-8-ol, were investigated in this study. The complex was characterized using elemental analysis, cyclic voltammetry, powder X-ray diffraction, as well as FTIR, UV-Vis, and H NMR spectroscopies. The electrochemical function of the complex as a sensor for pyridoxine detection showed a quasireversible behavior with an electrochemical rate constant of  = 0.133 s in the linear range of detection of 1.0 × 10 to 1.0 × 10 mol·L, with a limit of detection of 4.24 × 10 mol·L. The complex also exhibited good activity as a potential anticancer agent in regard to the MDA-MB-231 breast cancer cell line, with IC = 35.09 ± 0.03 μg/mL with a steep hill slope of 2.575 in the dose-response curve, suggesting a sensitive cellular response to the complex, indicating promising anticancer potential. UV-Vis spectroscopy remains the method of choice for stability studies conducted under physiological conditions. The results showed a progressive complex breakdown in the cell culture medium at 37°C over 96 h, implying that its biological activity could be a mixture of the degradation products of the complex. The complex also showed antimicrobial effects at concentrations of 10 and 20 ppm against , , and , with the diameter of the inhibition zone (IZ) increasing with increasing complex concentration. The combination of these electrochemical sensing properties with the dual therapeutic potential as an anticancer and antimicrobial agent places this class of vanadium complexes in a versatile position for further development in both analytical and medicinal fields.