Aug 2026· Scientific Reports· Vol 16· 0 citations· 47 references
Medicine
TL;DR
It is suggested that Se-NPs act as effective nanocatalysts for organic transformations and as efficient carriers that enhance the biological activity of the conjugated compounds, supporting their potential application as multifunctional platforms for neuroprotective therapy in Alzheimer’s disease.
Abstract
Selenium nanoparticles (Se-NPs) were manufactured effectively by a green chemical reduction approach utilizing sodium selenite and ascorbic acid, resulting in stable, rod-like nanoparticles with an average particle size of 23.5 nm and a high surface area of 25.05 m²/g. These Se-NPs were utilized as effective nanocatalysts in the chemical synthesis of new coumarin-based glycinate and heterocyclic amide derivatives via esterification and nucleophilic substitution reactions, markedly improving reaction rates and yields relative to traditional approaches. The resultant organic compounds (C1, C2, C6, C8, C9) were subsequently immobilized onto Se-NPs, resulting in stable core–shell nanostructures, as verified by UV–Vis spectroscopy and TEM imaging. The structural elucidation of the produced compounds was conducted utilizing FTIR, ¹H NMR, and ¹³C NMR spectroscopy. The acetylcholinesterase (AChE) inhibitory assay revealed that C6 (IC₅₀ = 8.0 ± 0.24 µM) and C9–Se-NPs (IC₅₀ = 1.19 ± 0.04 µM) exhibited enhanced inhibitory activity compared to the standard drug (IC₅₀ = 11.41 ± 0.35 µM), whereas C8 showed a higher IC₅₀ value (13.0 ± 0.54 µM), indicating lower activity. Upon nanoparticle conjugation, a significant reduction in IC₅₀ was observed for C6 (from 8.0 ± 0.24 to 4.64 ± 0.14 µM) and C8 (from 13.0 ± 0.54 to 5.272 ± 0.161 µM). Although C9–Se-NPs (1.19 ± 0.04 µM) exhibited a higher IC₅₀ than the parent compound C9 (0.50 ± 0.01 µM), it remained markedly more potent than all other tested compounds in both free and nano-conjugated forms. Overall, these findings suggest that Se-NPs act as effective nanocatalysts for organic transformations and as efficient carriers that enhance the biological activity of the conjugated compounds, supporting their potential application as multifunctional platforms for neuroprotective therapy in Alzheimer’s disease.
A sustainable one-pot multicomponent protocol was developed for the synthesis of benzo[g]chromene derivatives using Ag2WO4 nanoparticles as a recyclable catalyst. This represents the first application of Ag2WO4 nanocatalysis to this scaffold, affording the products in 86–95% yields under mild aqueous ethanol conditions. The synthesised compounds were characterised using FT-IR, NMR, and mass spectrometry and evaluated for anticancer and antibacterial activities. Compound 4f exhibited the highest cytotoxicity against HeLa and MDA-MB-231 cells, with 48 h IC50 values of 36.8 and 36.9 µM, respectively. In contrast, 4a exhibited the strongest preliminary antibacterial activity against Acinetobacter baumannii (MIC = 70 µg mL−1). Complementary DFT, docking, molecular dynamics, and ADME analyses provided insights into their electronic properties, predicted binding behaviour, and pharmacokinetic limitations. Overall, this study establishes Ag2WO4 nanoparticles as an effective catalyst for sustainable benzo[g]chromene synthesis and identifies 4f and 4a as promising scaffolds for further biological optimisation.
Sathiaseelan Perumal, Eswar Rao Tatta, K. Nalla et al.· RSC Advances· 0 citations
Background/Objectives: The green synthesis of gold nanoparticles (AuNPs) using plant-derived flavonoids offers a sustainable alternative to traditional methods. This study aimed to synthesize, characterize, and evaluate the biological activities and cytogenotoxicity of AuNPs functionalized with naringin (NG) and its aglycone, naringenin (NGN). Methods: Synthesis was optimized by varying pH, HAuCl4 concentration, reagent ratios, temperature, and stirring time. The resulting AuNPs-NG and AuNPs-NGN were characterized via Ultraviolet–Visible (UV–Vis) Spectroscopy, Fourier-Transform Infrared (FTIR) Spectroscopy, Dynamic Light Scattering (DLS), and Scanning Transmission Electron Microscopy with Energy-Dispersive X-ray Spectroscopy (STEM-EDX). Biological potential was assessed through five antioxidant assays, alpha-amylase and alpha-glucosidase inhibition, and antimicrobial screening. Cytogenotoxicity was evaluated using the Allium cepa root meristem model. Results: Optimal synthesis occurred at pH 10 for both flavonoids (NG at 40 °C, NGN at 20 °C). STEM revealed AuNPs-NG were smaller (54.64 ± 13.15 nm) and more polydisperse than AuNPs-NGN (135.52 ± 23.85 nm). Both nanoformulations exhibited superior antioxidant and antidiabetic activities compared to free precursors, with AuNPs-NGN showing the highest potency in inhibiting lipoxygenase (LOX) (EC50 = 9.58 ± 0.74 µg/mL). No antimicrobial activity was detected. In the Allium cepa test, both AuNPs induced concentration-dependent reduction in the mitotic index and triggered predominantly aneugenic chromosomal abnormalities. Conclusions: NG and NGN successfully act as reducing and stabilizing agents for AuNPs, with NGN providing enhanced biological efficacy alongside larger particle sizes. While these biogenic AuNPs show significant therapeutic potential as antioxidant and antidiabetic agents, their concentration-dependent cytogenotoxicity must be carefully considered for biomedical applications.
Ozana-Andreea Măriuț, I. Macovei, Ana Flavia Burlec et al.· Pharmaceuticals· 0 citations
Green synthesis of zinc oxide nanoparticles (ZnO-NPs) using Mesembryanthemum crystallinum L. (M. crystallinum), a halophytic plant adapted to saline environments of North Sinai, Egypt, offers a sustainable nanofabrication strategy with inherent therapeutic potential. High-resolution LC-ESI-QTOF-MS metabolomic profiling identified 13 major phytochemicals in the ethanolic leaf extract, dominated by citramalate (peak area 31,601), L-phenylalanine (30,377), and stress-responsive organic acids, reflecting the plant’s halophytic adaptation. These redox-active compounds templated the biosynthesis of crystalline ZnO-NPs under ambient aqueous conditions, yielding spherical to quasi-spherical nanoparticles (4.4–12.2 nm primary size; 40–150 nm aggregates) with a hexagonal wurtzite structure, as confirmed by XRD and SAED. FTIR and EDX analyses verified surface functionalization by phytochemical capping agents (polyphenols, organic acids), while SEM revealed characteristic aggregation with rough surface morphology indicative of biomolecular adsorption. Biosynthesized ZnO-NPs exhibited selective cytotoxicity against human malignant melanoma A375 cells (IC₅₀ = 100.55 ± 8.6 µg/mL) with four-fold lower toxicity toward normal human skin fibroblasts (IC₅₀ = 406.01 ± 35.2 µg/mL; selectivity index ≈ 4.0). Mechanistic investigations demonstrated that nanoparticle internalization triggered robust ROS generation (~ 3.8 × 10⁴ fluorescence units), mitochondrial membrane depolarization, and mixed apoptotic/necrotic cell death (40% total death; 25% late apoptosis, 15% necrosis). Cell cycle analysis revealed cancer-selective G2/M arrest in A375 cells (20.87% vs. 8.59% control; p < 0.001) versus protective G1 arrest in fibroblasts (69.14% vs. 56.01% control; p < 0.001). Paradoxically, qPCR showed BAX downregulation in cancer cells but upregulation in normal cells, suggesting non-transcriptional execution of apoptosis in malignancies. These findings establish M. crystallinum as an ecologically sustainable nanofactory whose stress-adapted metabolome directs the formation of selectively cytotoxic ZnO-NPs acting through ROS-mediated mitochondrial dysfunction, a paradigm for designing plant-guided nanotherapeutics with defined molecular mechanisms.
S. Taha, N. Emam, S. Salem et al.· Bioresources and Bioprocessi...· 0 citations
INTRODUCTION/BACKGROUND
Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cholinergic dysfunction and excessive oxidative stress. Targeting acetylcholinesterase (AChE) alongside antioxidant mechanisms represents a rational multitarget therapeutic strategy. The present study aimed to design, synthesize, and evaluate a new series of 2-mercaptobenzimidazole derivatives as potential dual-acting anti-Alzheimer agents.
METHODS
A series of eight novel 2-mercaptobenzimidazole derivatives (2a-2h) was synthesized through a two-step synthetic route involving acylation of substituted amines with chloroacetyl chloride, followed by coupling with 2-mercaptobenzimidazole. Structural elucidation was performed using standard spectroscopic techniques. in silico ADMET profiling and molecular docking were conducted against human AChE (PDB ID: 4EY7). The compounds were further evaluated for in vitro AChE inhibitory activity, enzyme kinetics, and antioxidant potential using the DPPH radical scavenging assay.
RESULTS
ADMET analysis predicted favorable drug-like characteristics, including acceptable physicochemical properties, good intestinal absorption, and low hepatotoxicity risk. Molecular docking studies revealed enhanced binding affinity for derivatives bearing electron-withdrawing substituents, with compound 2d demonstrating the strongest interaction (-10.6 kcal/mol) through π-π stacking and hydrogen bonding within the active site. in vitro AChE inhibition assays supported the computational findings, where compounds 2c (IC50 = 12.9 ± 0.7 μM) and 2h (IC50 = 15.1 ± 0.9 μM) exhibited promising activity relative to Donepezil. Kinetic analysis confirmed mixed- type inhibition by compound 2c, yielding a Km of 51.6 ± 1.5 μM, a Vmax of 0.61 ± 0.03 μmol/min/mg, and a Ki value of 6.8 ± 0.4 μM. Antioxidant evaluation indicated notable DPPH radical scavenging activity, with compound 2h showing 79.69% inhibition at 50 μg/mL.
DISCUSSION
The consistency between molecular docking, enzyme inhibition, and kinetic findings suggests that substituent-driven interactions play an important role in AChE inhibition. Additionally, the observed antioxidant activity highlights the therapeutic potential of these derivatives as multitarget agents capable of addressing both cholinergic dysfunction and oxidative stress associated with AD.
CONCLUSION
Collectively, the synthesized 2-mercaptobenzimidazole derivatives demonstrated promising acetylcholinesterase inhibitory and antioxidant properties. These findings support their potential as lead scaffolds for the development of novel multitarget therapeutic candidates for Alzheimer's disease.
Iqra Zulfqar, Syed Muzzammil Masaud, Asma Bukhari et al.· Current Medicinal Chemistry· 0 citations
Enzymatic browning mediated by polyphenol oxidase (PPO) remains a persistent challenge in food preservation. We report the rational design, synthesis, and evaluation of nine coumarin-sulfonamide hybrid inhibitors (DS1-9) featuring 6,7-dihydroxy-2-oxo-2H-chromen-4-yl cores linked to N-substituted benzenesulfonamide scaffolds, confirmed by FT-IR and 1H-NMR. Enzyme kinetics against Agaricus bisporus tyrosinase revealed competitive inhibition across the series, with Ki values spanning 46-775 uM. DFT calculations (B3LYP/def2-TZVP) characterized the electronic landscape, HOMO-LUMO energies (-5.716 to -6.455 eV; -1.716 to -2.278 eV), electrophilicity indices (3.5-4.2 eV), and dipole moments (4.98-11.24 Debye), while C-PCM solvation modeling, MEP mapping, and RDG analysis established that intramolecular hydrogen bonding (sign λ2ρ ≈ -0.025 to -0.035 a.u.) preorganizes binding-competent conformations. Molecular docking against PPO3 (PDB: 2Y9X) yielded binding affinities of -7.66 to -8.99 kcal/mol, substantially exceeding tropolone (-4.65 kcal/mol). DS-7 (N-3,4-dimethylisoxazol-5-yl) emerged as the lead compound (IC50 = 103 ± 5.64 µM; Ki = 46 uM), its potency driven by hydrogen bonding with Glu322, His85, and Asn260 alongside π-sigma/π-anion contacts. DS-1 (N-thiazol-2-yl; IC50 = 99.7 ± 0.91 µM; Ki = 57 uM) achieved comparable inhibition through a distinctive π-sulfur interaction with His85 and copper coordination. DS-6 (N-ethyl-N-phenyl; IC50 = 90.3 ± 4.86 µM; Ki = 129 uM) outperformed docking predictions via apparent induced-fit binding involving dual copper π-alkyl coordination. SAR analysis identified the 6,7-dihydroxycoumarin core, Val283 π-sigma anchoring, and lipophilic N-substitution as non-negotiable pharmacophoric elements, positioning DS-7, DS-1, and DS-6 for food preservation and biocatalytic applications.
Şeref Karadeniz, Ahmad Badreddin Musatat, Beste Karadeniz et al.· Biotechnology and applied bi...· 0 citations
Biogenic synthesis using plant materials provides a sustainable alternative to classical nanoparticle fabrication, minimizing chemical hazards and decreasing energy input. In this study, silver nanoparticles (AgNPs) were prepared using an aqueous extract of Mercurialis annua and characterized. Physicochemical properties of the AgNPs were confirmed using ultraviolet–visible spectroscopy (UV–Vis), Fourier transform infrared (FTIR) analysis, X-ray diffraction (XRD), and transmission electron microscopy coupled with energy-dispersive X-ray (TEM–EDX), which collectively indicated crystalline, spherical silver nanoparticles stabilized by extract-derived functional groups. Subsequently, the biological activities of both the nanoparticles and the extract were comparatively evaluated using antioxidant tests, including cupric ion reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), 2,2-diphenyl-1-picrylhydrazyl (DPPH), total phenolic content (TPC), and total flavonoid content (TFC), as well as enzyme inhibition tests targeting α-glucosidase and carbonic anhydrase. Liquid chromatography-mass spectrometry profiling identified 31 phenolic constituents in the extract, with ferulic, caffeic, salicylic, and 4-hydroxybenzoic acids detected in high abundance. Overall, the biosynthesized AgNPs demonstrated higher antioxidant performance and stronger inhibitory effects on both enzymes compared with the crude extract. These results indicate that M. annua-based AgNPs hold considerable promise sustainable and effective bioactive agents for future biomedical and biotechnological applications.
Aısha Mohamud Salad, Z. Akar· BioResources· 0 citations
