Search Results (1,693)

Background/Objectives: Ferula varia Trautv. is a promising medicinal plant of the Apiaceae family and a potential source of biologically active secondary metabolites. The present study aimed to investigate the phytochemical composition and biological activities of F. varia root extract. Methods: The non-volatile compounds were characterized using high-performance liquid chromatography coupled with mass spectrometry (HPLC–QTOF–ESI-MS/MS) method. Furthermore, the total phenolic and flavonoid contents (TPC and TFC), antioxidant activity, and antimicrobial potential of the extract were evaluated using spectrophotometric and microdilution assays. Results: HPLC-ESI-QTOF-MS/MS analysis enabled the tentative identification of 25 metabolites in the F. varia root extract, predominantly sesquiterpene coumarins together with organic acids, phenolic acids, coumarins, sesquiterpene esters, and prenylated aromatic compounds. The extract contained 30.06 ± 3.00 mg GAE/g_extr of total phenolics and 1.42 ± 0.04 mg RuE/g_extr of total flavonoids. Antioxidant assays revealed Trolox equivalent antioxidant capacity (TEAC), total antioxidant capacity (TAC), ferric reducing antioxidant power (FRAP) values of 0.10 ± 0.00 mM, 110.31 ± 4.94 mg AsAE/g_extr, and 21.95 ± 0.00 mg TE/g_extr, respectively, while the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay showed weak radical scavenging activity (IC₅₀ > 1 mg/mL). The extract also demonstrated stronger antimicrobial activity against yeasts than against Gram-positive and Gram-negative bacteria, with minimal inhibitory concentration values ranging from 2.5 to 5 mg/mL and 10–20 mg/mL, respectively. Conclusions: These findings indicate that F. varia roots are a promising source of bioactive compounds exhibiting antioxidant and antimicrobial potential. Full article

Low-cost lignocellulosic residues offer a sustainable route to fungal pigment production. In this study, six biomass residues were evaluated as culture-medium supplements for Arthrinium phaeospermum, and their chemical constituents that may be associated with enhanced red pigment production were investigated. Fungal growth, pigment production, and pigment productivity were measured on biomass-amended potato dextrose agar. Following initial screening, Paulownia powder and sugarcane bagasse were selected, and their concentrations were optimized in mixed media. Ethanolic extracts of both materials were characterized using Fourier-transform infrared spectroscopy and ultra-performance liquid chromatography–mass spectrometry, and four major Paulownia-derived compounds were individually evaluated. The optimal medium, containing 4 mg/mL Paulownia powder and 3 mg/mL sugarcane bagasse, produced 3.09 g/L red pigment, representing a 2.02-fold increase over the control. Sugarcane bagasse primarily promoted fungal growth, whereas paulownia enhanced pigment productivity. Among the tested compounds, 0.2 mg/mL 4-methylumbelliferone (4M) showed the strongest stimulatory effect, increasing pigment production 3.01-fold over the control. These findings demonstrate that combining forestry and agro-industrial residues can simultaneously support fungal growth and pigment production. Paulownia-derived coumarins, particularly 4-methylumbelliferone, may contribute to this stimulatory effect and warrant further mechanistic investigation. Full article

To explore the emerging role of natural ligands, specifically coumarin and curcumin, and their coordination with the transition metals ruthenium (Ru) and iridium (Ir) as photosensitizers (PSs) in photodynamic therapy (PDT) for cancer. This highlights the integration of natural compounds and transition metals to overcome limitations in photophysical properties, hypoxia tolerance, and clinical translation. Regarding PDT oncology, this examines an immunological effect on Ru/Ir complexes and natural ligand–metal hybrids. They induce immunogenic cell death (ICD) through reactive oxygen species (ROS) generation, calreticulin exposure, extracellular ATP release, and HMGB1 secretion. These damage-associated molecular patterns act as “danger signals” to recruit dendritic cells, prime CD8⁺ cytotoxic T-cells, and establish systemic antitumor immunity. This study compares natural ligand–metal complexes with conventional Ru(II)/Ir(III) complexes and clinical PSs to assess their translational potential as immune-activating agents in PDT oncology, as well as focusing on the integration of nanotechnology with natural ligand–metal complexes to enhance delivery, biocompatibility, and clinical translation. A narrative review was conducted of the literature published between 2010 and 2025 across multiple electronic databases, including WanFang Data, PubMed, ScienceDirect, Scopus, Web of Science, Springer Link, SciFinder, and CNKI, without language restrictions. Studies focusing on coumarin, curcumin, Ru(II), Ir(III), and PDT were analyzed. Extracted data included chemical structures, absorption and emission spectra, singlet oxygen yields, biological activities, and therapeutic outcomes. Comparative evaluation was performed between free natural ligands, their Ru(II)/Ir(III) complexes, and nanodelivery systems to assess efficacy, biocompatibility, and translational potential. Coumarin and curcumin exhibited intrinsic antioxidant, anti-inflammatory, and anticancer properties but were limited by short absorption/emission ranges, poor photostability, and low singlet oxygen yields, restricting preclinical application. Coordination with Ru(II) and Ir(III) significantly enhanced intersystem crossing, extended absorption into the near-infrared region, and improved singlet oxygen quantum yields (Φ_Δ up to ~0.78). These complexes demonstrated potent photocytotoxicity under normoxia and hypoxia, achieving IC₅₀ values in the nanomolar range, which indicated organelle-specific targeting (mitochondria, lysosomes, ER), induced ICD, and synergized with checkpoint blockade. Nanocarrier encapsulation further improved solubility and tumor selectivity, and reduced systemic toxicity. Coumarin- and curcumin-based Ru/Ir complexes represent promising next-generation or immune-activating PDT agents by combining natural pharmacological activity with superior photophysical performance. The ability to generate reactive oxygen species under hypoxia and achieve multimodal therapeutic effects positions them as strong candidates for clinical translation. Clinical approval of natural ligand–Ru/Ir complexes depends on rigorous safety, pharmacokinetic, and nanodelivery validation, but these complexes clearly extend PDT beyond local cytotoxicity toward durable immune protection. Future research should prioritize ligand engineering, nanotechnology integration, and translational models to bridge preclinical promise with safe and effective clinical applications. Full article

Marine fungi associated with sponges and brown algae are promising sources of pharmacologically active compounds. This study investigated the cytotoxic potential and metabolomic profiles of fungal strains isolated from the marine environment of Mauritius. Among the twenty extracts screened, the mycelium extracts were more cytotoxic than the broth extracts. Four extracts demonstrated the most potent activity: Aspergillus chevalieri (F2M), Aspergillus ochraceus (F25M) and Biatriospora sp. (F34M, F34B). The algal endophyte Aspergillus chevalieri (F2M) mycelium extract displayed an IC₅₀ of 14.27 ± 1.22 µg/mL after 24 h against HepG2 cells. The sponge-associated fungi Aspergillus ochraceus (F25M) showed promising cytotoxic activities against HepG2 cells (IC₅₀ of 8.775 ± 0.78 µg/mL) after 24 h of treatment, with a selectivity index of 2.27, and had the lowest IC₅₀ (2.49 ± 0.60 µg/mL after 24 h; 7.14 ± 3.14 µg/mL after 48 h) against FLO-1 cells, also reducing tumor spheroid growth and integrity during the first four hours. All four extracts increased the intracellular ROS production, but only the mycelium extract of A. chevalieri (F2M) significantly increased superoxide dismutase (SOD) and catalase (CAT) activity. Metabolomic profiling identified diverse compound classes, including alkaloids, terpenoids, amino acids, anthraquinones and coumarins. The findings revealed that the marine fungi from Mauritius are promising sources of cytotoxic metabolites that require purification and subsequent confirmation and mechanistic studies. Full article

Galium odoratum (L.) Scop., commonly known as sweet woodruff, is a perennial European woodland herb traditionally used as a medicinal and aromatic plant. Its characteristic sweet, hay-like scent is mainly linked to coumarin, which is formed from glycosidically bound melilotoside precursors during wilting and drying. However, the phytochemistry of G. odoratum extends beyond coumarin. The species also contains iridoid glycosides, coumarin-related melilotosides, caffeoylquinic acids, flavonoids, and volatile constituents. This review summarizes current knowledge on traditional use, phytochemical constituents, metabolite dynamics, biological and ecological relevance, toxicology, and potential applications. Seasonal variation, organ-specific differences, post-harvest metabolism, and differences in analytical methodology affect analytical interpretation of the available data. Reported biological activities are mainly based on isolated constituents, in vitro studies, animal models, or non-standardized extracts, and no convincing clinical evidence is available for defined G. odoratum preparations. Potential applications require standardized plant material, controlled processing, sustainable sourcing, and safety assessment, while the valorization of processing residues may provide an additional route toward more resource-efficient utilization of the species. Overall, G. odoratum should be regarded as a chemically diverse species rather than merely as a source of coumarin aroma. Full article

Minicitrus (Fortunella hindsii) is a wild kumquat with potential nutritional and medicinal value, but its tissue-specific bioactive metabolites, antioxidant activity, and endophytes remain poorly characterized. Here, we integrated LC-MS profiling, HPLC quantification, chemical and cellular antioxidant assays, 16S rRNA gene sequencing, bacterial isolation, and treatment experiments across five tissues. Among all the metabolites determined by HPLC, 13 were quantified using authentic standards and 24 were semi-quantified as linarin equivalents. Leaves, stems, and fruits accumulated abundant flavone glycosides, with phloretin-3′,5′-di-C-glucoside reaching 1823.19 ± 278.71 μg/g FW in leaves and 847.11 ± 27.28 μg/g FW in fruits, while roots and seeds showed distinct coumarin- and furanocoumarin-rich profiles, respectively. Leaf extracts showed the strongest chemical and cellular antioxidant activities, followed by fruit extracts. Isoorientin 2″-O-rhamnoside and diosmin exhibited strong chemical antioxidant capacity, and several flavone glycosides showed protective effects in cellular assays. Endophytic bacterial communities differed markedly among tissues, with fruit harboring a distinct community dominated by Weissella and Pantoea, which accounted for 65.64% and 19.13% of the relative abundance, respectively. Among two culturable fruit-associated isolates, Weissella sp. SJG-1 treatment was associated with 32.92–104.45% increases in six HPLC-quantified metabolites and higher antioxidant activity of fruit extracts. These findings highlight minicitrus as a source of bioactive metabolites and suggest a potential association between fruit-associated bacteria and fruit functional properties. Full article

Caspase-1 is a crucial inflammatory cysteine protease that facilitates the maturation of pro-inflammatory cytokines such as interleukin-1β and interleukin-18, making it a significant therapeutic target for inflammatory diseases. However, existing caspase-1 inhibitors often face challenges like toxicity and suboptimal drug-like properties, underscoring the need for new inhibitors. This study employed an integrated computational strategy, combining quantitative structure–activity relationship (QSAR) modeling and application of this validated model to a large natural product database followed by molecular docking, rigorous binding free energy analysis and extended molecular dynamics simulations. Initially, a dataset of 185 caspase-1 inhibitors with experimentally reported pKi values (ranging from 4.05 to 9.24) was used to construct a QSAR model using Partial Least Squares (PLS) regression. The PLS-based QSAR model was developed with 18 descriptors out of 5799 calculated descriptors for each compound and 10 latent variables, demonstrating strong statistical performance with R² values of 0.870 and 0.838 for the training and test sets, respectively, and leave-one-out cross-validation coefficient Q²_LOO and 5-fold cross-validation (Q²_5-fold) values of 0.819 and 0.814, respectively. Y-randomization tests further confirmed the model’s robustness, as the randomized models exhibited significantly lower statistical parameters than the original model. The validated QSAR model was applied to 276,518 natural products in the LOTUS database. Subsequent molecular docking, Molecular Mechanics/General Born Surface Area (MM/GBSA) scoring, and Pan-Assay INterference Compounds (PAINS) and Chemical Frequent Hitter (ChemFH) filtering identified 14 candidate compounds, which were further evaluated using 300 ns molecular dynamics simulations. Among these, four natural products (LTS0162325, LTS0221286, LTS0016840, and LTS0070407) showed the most stable binding behavior and maintained persistent interactions with key catalytic and substrate-binding residues of caspase-1 in a mimicked physiological condition. Overall, this study highlights natural diterpenoids and coumarin glycosides as promising scaffolds for caspase-1 inhibition and demonstrates that integrating QSAR modeling with structure-based approaches provides an efficient strategy for discovering potential anti-inflammatory drug candidates. Full article

This study used Camellia pyxidiacea var. rubituberculata as the rootstock and the improved cultivar Camellia oleifera ‘Qianyou 2’ as the scion for heterografting (CO group), with homografting (using C. pyxidiacea var. rubituberculata as both rootstock and scion) as the control. The physiological and metabolic changes during graft healing were investigated by measuring enzyme activities, targeted analysis of endogenous hormones, and non-targeted metabolomics via LC-MS/MS. The results indicate that, compared to homologous grafting, an integrated response pattern characterized by “defense prioritization and growth suppression” was observed in heterologous grafting combinations. At the hormonal level, heterografting significantly inhibited growth-promoting hormones (e.g., zeatin riboside), while defense-related hormones (salicylic acid SA, jasmonic acid JA) and their metabolite, capsidiol, were continuously accumulated and upregulated. At the metabolic pathway level, phenylpropanoid metabolism was redirected: the activity of phenylalanine ammonia-lyase (PAL) was suppressed, shifting synthesis toward soluble defense compounds like coumarins. Enzymatically, the activities of polyphenol oxidase (PPO) and peroxidase (POD) were significantly enhanced in the mid-to-late stages of healing, promoting the oxidative crosslinking of phenolic compounds and the formation of lignin-related physical barriers. Thus, these three mutually corroborating levels—hormonal signaling, dynamic enzyme activities, and global metabolic networks—collectively point to a healing mode characterized by defense prioritization and growth suppression. This study provides theoretical guidance for the grafting utilization of C. pyxidiacea var. rubituberculata. Full article

The Turkistan Region of southern Kazakhstan lies within the Mountains of Central Asia biodiversity hotspot and harbors a flora of beneficial plants whose traditional use is well documented but whose chemistry and conservation status remain, for most species, formally unassessed. Following the PRISMA extension for Scoping Reviews (PRISMA-ScR), with accepted names verified against Plants of the World Online, this scoping review maps—for the first time as a single co-occurring assemblage rather than isolated single-taxon surveys—the evidence for nine regionally important species across the Nitrariaceae, Fabaceae, Apiaceae and Asteraceae. From 4362 records, 82 were charted by structured per-species extraction. The species span a broad chemical space: β-carboline alkaloids, furanocoumarins, sesquiterpene coumarins, sesquiterpene lactones and flavonoid-rich essential oils, sharing a recurring antioxidant and antimicrobial profile overlaid with species-specific effects such as the anthelmintic santonin of Artemisia cina. For most species the underlying data derive from non-Central Asian populations, limiting regional transferability, and safety evidence is sparse: no acute or repeated-dose toxicity study on regionally collected material was identified, although several species contain monoamine oxidase inhibitors, phototoxic furanocoumarins or thujone-rich oils. We propose a tiered, conservation-aware framework and a prioritized research agenda. Provenance was charted for all 82 records, and the country of origin could be established for 35. Full article

Eucalyptus bacterial wilt in China, caused predominantly by Ralstonia pseudosolanacearum, severely threatens Eucalyptus plantation management in China and demands plant-derived alternatives to conventional bactericides. This study evaluated the in vitro antibacterial activities and underlying molecular mechanisms of two differentially substituted coumarin derivatives, daphnetin (DAP) and 6-methylcoumarin (MC), against a eucalyptus-derived R. pseudosolanacearum strain. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were determined using broth microdilution assays. Quantitative phenotypic assays were conducted to evaluate the effects of sub-lethal concentrations on biofilm formation, swimming motility, and extracellular polysaccharide (EPS) accumulation. Furthermore, high-throughput RNA sequencing integrated with GO and KEGG enrichment analyses was employed to characterize the genome-wide transcriptomic responses. Antimicrobial susceptibility testing demonstrated that DAP possessed superior bactericidal efficacy, yielding lower MIC (62.5 μg/mL) and MBC (250 μg/mL) values than MC. Conversely, sub-lethal MC exhibited a more pronounced, early-stage suppression of flagellum-dependent swimming motility and biofilm maturation. Both compounds consistently attenuated EPS production. Transcriptomic analysis revealed distinct yet partially convergent regulatory networks: DAP primarily exerted metabolic strangulation by downregulating genes governing aerobic respiratory chains and peripheral carbon/nitrogen pathways, whereas MC targeted collective behavior and active pathogenesis, systematically downregulating the expression of genes associated with flagellar assembly, quorum sensing, and Type III and VI secretion systems. Notably, both pathways converged downstream to repress the master virulence regulator xpsR and the epsA-P operon. These findings provide valuable insights into the potential molecular pathways affected by DAP and MC, offering a useful reference for future exploration of botanical formulations for ecologically responsible forest disease control. Full article

3,4-dihydrocoumarins and spiro compounds constitute an important class of privileged frameworks present in a wide variety of natural and synthetic molecules with diverse applications. In this study, we developed an organocatalytic methodology for the construction of complex and diverse chiral spiro-bridged 3,4-dihydrocoumarins through a Diels–Alder/Nucleophilic ring-closing cascade via trienamine activation. The reaction proceeds efficiently with different trienamine precursors and a range of coumarin-3-carboxamides, which act as both dienophile and intramolecular nucleophile species. This process affords the desired products in good yields and with a high degree of stereocontrol. Furthermore, several transformations on the newly formed spiro-piperidone ring demonstrate the synthetic utility of the obtained compounds. Full article

Understanding singlet oxygen (¹O₂) generation in plasmon-coupled photosensitiser systems is important for the design of photodynamic nanomaterials. In this study, silica nanoparticles decorated with satellite silver nanoparticle–photosensitiser conjugates (SiO₂–Ag–dye) were prepared using three representative photosensitisers: Rose Bengal (RB), protoporphyrin IX (PpIX), and coumarin-3-carboxylic acid (C3CA). ¹O₂ generation measurements showed lower singlet oxygen quantum yields (Φ_Δ) for all nanoparticle-bound dyes than for the corresponding free dyes. Among the investigated systems, SiO₂–Ag–PpIX retained approximately 80% of the ¹O₂ generation activity observed for the corresponding free dye (Φ_Δ = 0.45 ± 0.04), whereas SiO₂–Ag–RB (Φ_Δ = 0.31 ± 0.15) and SiO₂–Ag–C3CA (Φ_Δ = 0.12 ± 0.02) retained only approximately 40% of the corresponding free-dye activity. These results suggest that the photophysical behaviour and ¹O₂ generation efficiency of Ag-based dye–nanoparticle systems depend strongly on the immobilised photosensitiser. The findings provide insight into the interactions between plasmonic nanostructures and photosensitisers and may assist the future design of photodynamic nanomaterials. The present study should be regarded as a proof-of-concept demonstration of dye-dependent plasmonic modulation of ¹O₂ generation. Evaluation of practical photodynamic performance, photostability, and reusability will be the subject of future studies. Full article

Background/Objectives: Sphagneticola trilobata is a phytochemically rich medicinal plant, yet its antioxidant-active fractions and redox-related mechanisms remain incompletely characterized. This study combined metabolite profiling, antioxidant screening, network pharmacology, pharmacokineticprediction, and molecular docking to characterize active flower and leaf fractions and prioritize antioxidant-related targets. Methods: Petroleum ether, methylene chloride, and ethyl acetate fractions of S. trilobata flowers and leaves were analyzed by ultra-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry (UPLC–ESI–MS/MS). The predominant metabolite was isolated and spectroscopically characterized. Antioxidant activity was assessed using 2,2′-azinobis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) and ferric reducing antioxidant power (FRAP). Metabolites from the most active fractions were investigated by target prediction, protein–protein interaction (PPI) analysis, enrichment analysis, SwissADME, and docking. Results: UPLC–ESI–MS/MS tentatively identified 59, 18, and 16 metabolites in the petroleum ether, methylene chloride, and ethyl acetate fractions, respectively, including diterpenes, phenolic acids, flavonoids, fatty acids, triterpenes, and coumarin-related metabolites. Butein was isolated as the predominant metabolite from the ethyl acetate flower fraction, which showed the strongest antioxidant activity, with IC₅₀ values of 5.85 ± 0.14 µg/mL in ABTS and 9.11 ± 0.75 µg/mL in FRAP, followed by the ethyl acetate leaf fraction. Network analysis identified 61 and 82 antioxidant-relevant targets for the flower and leaf ethyl acetate fractions, respectively, with enrichment in inflammation-, apoptosis-, transcription-, hypoxia-, lipid stress-, and kinase-related pathways. Docking suggested fraction-specific compatibility with EGFR/PTGS2/STAT3 for flower metabolites and AKT1/PTGS2 for leaf metabolites. Conclusions: S. trilobata ethyl acetate fractions, particularly the flower fraction, represent promising antioxidant sources with experimentally supported activity and computationally prioritized redox-related hypotheses requiring further validation. Full article

Pontastacus leptodactylus is an aquatic resource endemic to Xinjiang, and its growth performance is closely related to the composition and structure of its intestinal microbiota. This study used male P. leptodactylus, divided into a high-growth-performance (HGP) group and a low-growth-performance (LGP) group based on growth rates, to analyze differences in intestinal microbiota using microbial sequencing technology. Results showed that the number of ASVs unique to the HGP group (7840, accounting for 65.97%) was substantially higher than that in the LGP group (3383, 28.46%). ALDEx2 analysis identified six ASVs significantly enriched in the LGP group, assigned to Methylobacterium, Devosia, order Rhizobiales, Renibacterium, Stenotrophomonas, and class Mollicutes, which were near-absent in the HGP group. At the phylum level, TM7 was differentially abundant with higher relative abundance in HGP. At the genus level, ten genera showed significant differences: Pseudomonas, Hydrogenophaga, Mesorhizobium, Reyranella, Mycobacterium, Flavobacterium, Ralstonia, Bradyrhizobium, and Aeromicrobium were enriched in HGP, whereas the opportunistic pathogen Plesiomonas was depleted. Alpha diversity analysis revealed significantly higher Chao1, observed species, Shannon, and Faith’s pd indices in the HGP group (p < 0.05). Beta diversity analysis confirmed significant separation in microbial community structure between the two groups (adonis p = 0.018). KEGG pathway analysis showed upward trends in retinol metabolism, shigellosis, geraniol degradation, and xenobiotics metabolism pathways in HGP (p < 0.10), and a significant upregulation of coumarin biosynthesis (p < 0.01). COG analysis revealed eight downregulated functional genes in HGP (p < 0.01), suggesting more complex host–microbiota interactions. This study identifies distinct intestinal microbial signatures associated with growth performance in P. leptodactylus, providing candidate targets for probiotic development and aquaculture management, while causal verification remains the critical next step. Full article

Finger lime (Citrus australasica) is an emerging high-value fruit species, yet the chemical profiles of Mediterranean-cultivated varieties remain underexplored. This study presents the first chemical characterization of two finger lime varieties, Pink Ice and Green Crystal, grown in Greece, providing the first report on the volatile and non-volatile composition of Green Crystal. Peel essential oils were extracted and analyzed through GC-MS across two harvesting periods (H1 and H2), while methanolic extracts were assessed for their total phenolic content (TPC) and DPPH radical scavenging activity. Non-volatile untargeted profiling was performed on stage H1 extracts using UHPLC-MS/MS. The results revealed a significant chemical divergence between the varieties. Green Crystal exhibited an unprecedented p-cymene/β-phellandrene/citronellal/citronellol volatile chemotype, while Pink Ice displayed a limonene/p-cymene/sabinene/terpinen-4-ol chemotype. Maturity of the fruit significantly influenced monoterpene distribution, with an increase in monoterpene hydrocarbons at the expense of oxygenated derivatives. TPC peaked at stage H1, showing a significant maturity-dependent decline in both varieties, whereas DPPH radical scavenging capacity remained stable across both harvests. UHPLC-MS/MS analysis annotated 58 metabolites, including several compounds reported for the first time in the species. Variety-specific tendencies were observed, with Pink Ice exhibiting greater diversity in flavanones, flavonols, and simple coumarins, whereas Green Crystal exhibited greater diversity in flavones, furanocoumarins, and HMG (hydroxy-3-methylglutaric acid)-flavonoid conjugates. These findings demonstrate that variety selection and harvesting timing are critical parameters for optimizing the commercial and bioactive value of Mediterranean-grown finger lime, highlighting the significant potential for expanded cultivation in the region. Full article