Isolation, structural re-elucidation of two active prenylated flavonoids from Morus alba L. twigs responsible for anti-inflammatory effects: an in vitro and in silico approach.

Anticancer mechanisms of Poikilospermum suaveolens root fraction: ethnopharmacological relevance, signaling pathways, and in vitro/in silico studies on MCF-7 cells.

The composition and content of trace compounds in the aroma of Chinese liquor by Fourier transform infrared (FTIR) difference spectroscopy.

Evaluation of embryotoxicity and teratogenicity of Cenostigma pyramidale (Tul.) fruit extract in zebrafish (Danio rerio).

Integrated phytochemical and computational approaches to identify candidate Bcl-2 inhibitors from Caesalpinia mimosoides: Toward translational anticancer strategies.

Fagonia glutinosa: chemical characterization, pharmacological properties and toxicity assessment conducted by in vitro, in vivo and in silico methods.

Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.

Rosa chinensis cv. 'JinBian' flowers alleviates brain damage and cognitive deficit by inhibiting ferroptosis via the Keap1/Nrf2/GPX4 pathway and regulating gut microbiota.

Alternariol from the endophytic fungus Alternaria sp. S4 acts as a membrane-targeting bactericidal agent against Staphylococcus aureus.

Precise pH control and synergistic interaction of raw materials improve the quality of stewed beef: multi-omics analysis of tenderization mechanisms and flavor restructuring.

Bioactive-rich Mangifera indica leaf extracts alleviate inflammation, pain, and fever via suppression of pro-inflammatory cytokines and activation of Nrf2 pathways.

Identification of antithrombotic active components in Xuefu Zhuyu decoctionby thrombin targeted affinity ultrafiltration mass spectrometry.

Maerua edulis (Gilg & Gilg-Ben.) DeWolf) was traditionally used in the treatment and/ or management of various diseases, including cancer. However, limited studies have evaluated whether M. edulis can suppress the proliferation of cervical cancer cells, and its putative mechanism for antiproliferative activity remains unclear. Therefore, we conducted this study to evaluate the in-vitro antiproliferative and cytotoxic effects of M. edulis root extracts against human cervical cancer cells and their underlying mechanism of action. To achieve this goal, we performed MTT assay, microscopic analyses, and wound-healing assay to assess the antiproliferative activity of M. edulis extract and its fractions. Qualitative phytochemical and gas chromatography-mass spectrometry (GC-MS) analyses were performed to characterize the phytochemicals in bioactive extracts, and network pharmacology was utilized to predict putative molecular targets and the mechanism of action of the active extract's fractions. Target validation was accomplished through molecular docking and real-time PCR methods. Bioactive M. edulis extracts exhibited significant antiproliferative activity against HeLa cells, with hexane fraction (essential oil) and ethyl acetate extracts demonstrating IC50 values of 0.02% (v/v) and 47.42µg/mL, respectively. GC-MS analysis identified key phytochemicals such as methyl stearate, (8Z)-14-methylhexadec-8-enal, squalene, and stigmasta-3,5-diene, which were associated with the demonstrated bioactivities, possibly mechanistically through regulation of apoptosis and cell cycle-related genes (BCL2, CDK2, TP53). Interestingly, gene expression analysis revealed the modulation of these target genes. The results of our study suggest the potential therapeutic benefits of M. edulis in the treatment and management of cervical cancer. Further in-vivo studies are recommended to validate these findings and establish their safety profile.

Spasmolytic polypeptide-expressing metaplasia (SPEM) is a gastric precancerous lesion (GPL) with high malignant potential. The ethyl acetate extract of Celastrus orbiculatus Thunb. effectively ameliorates GPL and gastric cancer progression. Meanwhile, the primary active constituent of this plant, pristimerin, also demonstrates notable antitumor activity. To investigate the therapeutic effects of pristimerin on SPEM and its underlying mechanisms. Pristimerin was administered to high-dose tamoxifen-induced SPEM mice to assess its effects on pathological progression, glycolytic reprogramming, and Cdkn1c (p57) expression. Human gastric epithelial (GES-1) cells were treated with tamoxifen and then with pristimerin or 2-deoxy-D-glucose to demonstrate that pristimerin ameliorates SPEM by regulating glycolytic reprogramming. Furthermore, gastric organoids were treated with N-methyl-N'-nitro-N-nitrosoguanidine/Helicobacter pylori, followed by Cdkn1c overexpression or knockdown and then pristimerin, to confirm p57 as the key target through which pristimerin regulates glycolytic reprogramming and reverses SPEM. Pristimerin effectively ameliorated gastric mucosal damage and oxyntic atrophy induced by high-dose tamoxifen, suppressed the aberrant upregulation of key glycolytic regulators, SPEM-specific markers, and stem cell markers, and upregulated p57 expression. In tamoxifen-induced GES-1 cells, pristimerin exhibited comparable therapeutic effects. Crucially, glycolysis inhibition in GES-1 cells effectively ameliorated tamoxifen-induced SPEM-associated phenotypes. In gastric organoids, Cdkn1c overexpression suppressed glycolytic reprogramming and SPEM phenotype activation, whereas Cdkn1c knockdown attenuated pristimerin-mediated inhibition of glycolysis and amelioration of SPEM. Pristimerin effectively ameliorates gastric mucosal pathological damage and oxyntic atrophy in high-dose tamoxifen-induced SPEM mice, and improves SPEM progression by modulating Cdkn1c (p57)-mediated glycolytic reprogramming.

Catalytic oxidation is widely recognized as an efficient strategy for the abatement of industrial volatile organic compounds (VOCs). However, the mechanistic understanding of catalytic oxidation in the presence of multiple pollutants under practical operating conditions remains limited and inconclusive. Herein, the interaction between benzene and ethyl acetate (EA) during their co-oxidation over a Pt/Al2O3 catalyst is systematically evaluated. Results show that the oxidation activity of benzene is inhibited by EA, while the oxidation activity of EA is promoted by benzene under mixed-pollutant conditions. Various characterization techniques, including coadsorption experiments, temperature-programmed desorption, and in situ diffuse reflectance infrared Fourier transform spectroscopy, reveal that competitive adsorption is the primary cause of the decreased activity in benzene oxidation. Alternatively, although the presence of benzene inhibits EA adsorption, the superior performance of benzene oxidation results in the preferential consumption of adsorbed oxygen on Pt sites. This, in turn, promotes the adsorption of acetic acid─a hydrolysis product of EA─resulting in an overall enhancement in its oxidation activity. This oxygen-scavenging effect exerts a universal promotional influence on the oxidation of a mixture of aromatic hydrocarbons and various oxygen-containing VOCs. This study elucidates the critical role of the dynamic evolution of active sites during the oxidation of mixed VOCs and provides guidance for the design of high-performance catalysts for the catalytic oxidation of multicomponent VOCs.

Organic functionalization of highly reactive metal powders is of great significance for chemistry and materials science yet remains a critical challenge. Herein, the interfacial self-polymerization cross-linking strategy based on boroxine chemistry is proposed to construct a functional dynamic covalent network on Al-Li alloy powders. The 4-hydroxyphenylboronic acid (HPBA) monomers undergo spontaneous dehydration and interfacial polymerization to form a trimer structure with boron-oxygen (B-O) dynamic covalent bonds in ethyl acetate solvent under vacuum and thermal conditions. During subsequent desolvation process, the HPBA trimer is further cross-linked through multimer and reactive phenolic hydroxyl groups. Dynamic B-O bonds in the boroxine structure endow the network with intrinsic self-healing capability. DFT calculation and AIMD simulation indicate that boron atoms in HPBA trimer undertake sp3 hybridization to form robust B-O-Al/Li covalent bonds with 200.167 kJ mol-1 adsorption energy. Desolvation can generate a controllable surface morphology for the network to efficiently block corrosive media transport. This organic functionalization strategy endows Al-Li alloy-based composite solid propellants with outstanding mechanical performance (2.342 MPa tensile strength) while improving the combustion heat of Al-Li alloy fuel to 30.648 MJ kg-1 with 3.2% enhancement.

This study aimed to isolate secondary metabolites produced by the endophytic fungus Xylaria sp. derived from Andrographis paniculata and to evaluate their cytotoxic potential using in vitro and in silico methods. The fungus was cultivated on rice medium for three weeks, extracted with ethyl acetate, and purified by chromatographic techniques, yielding two compounds identified as 19,20-epoxycytochalasin C (1) and ergosterol (2) based on NMR and FT-IR analyses. Both compounds exhibited cytotoxicity against MCF-7 breast cancer cells, with IC50 values of 38.4 and 45.7 μM, respectively. Molecular docking against the HER2 protein supported the in vitro results, showing binding free energies of −8.023 and −7.310 kcal/mol for compounds 1 and 2, respectively. These findings suggest that both metabolites possess significant anticancer potential, particularly as candidate anticancer compounds against MCF-7 cancer cells. Notably, this is the first report of the chemical characterisation of Xylaria sp. associated with A. paniculata.

The karst ecosystem, distinguished by its unique geophysical characteristics, hosts a wide variety of microbes. In these environments, cave-dwelling bacteria are renowned for producing compounds with diverse biological activities. Therefore, this study was conducted to explore the antibacterial potential of cave-dwelling bacteria from the Maros-Pangkep Karst Area in South Sulawesi, Indonesia. Soil samples were collected from Leang Kassi, Leang Jarie, and Leang Ulu Wae caves. The three caves are located at different points within the Maros-Pangkep karst system, each representing an independent and spatially separated sampling site. The bacterial isolation was performed, and antibacterial agar diffusion assays were conducted against pathogenic bacteria as a preliminary qualitative screening approach. The secondary metabolites from promising isolates were extracted using ethyl acetate and tentatively characterized using GC-MS. Additionally, the putative compounds were then screened and evaluated for their potential interaction with the protein target through molecular docking analysis as an in silico analysis approach. Results showed that isolates exhibited distinct morphological and antibacterial properties, with one from Leang Ulu Wae showing notable inhibitory effects in preliminary screening assays. 16S rRNA identified the Leang Ulu Wae isolate as Exiguobacterium. GC-MS analysis detected three major compounds with a library match (Similarity Index, SI) ≥90%. In silico analysis suggested that Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl), exhibited the most favorable predicted binding interaction with the protein target, followed by Cyclo(L-prolyl-L-valine) and 5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a]. The findings suggest that the bacteria located in the caves of the Maros-Pangkep Karst Area possess considerable potential for future antibacterial research.

This study evaluated the phytochemical composition, antioxidant, antimicrobial, and cytotoxic activities of C. jagus bulb collected from Oja-Igbo, Ogbomoso, Southwestern Nigeria, due to the documented traditional use of C. jagus in disease management in the region and the scarcity of region-specific phytochemical and bioactivity studies compared to other geographical locations. The air-dried bulbs were successively extracted with n-hexane, ethyl acetate, and ethanol, and then subjected to phytochemical screening, antioxidant assays (DPPH and FRAC), antimicrobial activity, cytotoxicity (brine shrimp lethality assay), and GC-MS analysis. The polar extracts were found to be rich in alkaloids, phenolics, flavonoids, saponins, and glycosides, with the ethyl acetate extract being rich in phenolic compounds and having high antioxidant activity (IC₅₀ = 182.77 µg/mL). The extracts showed broad-spectrum antimicrobial activity (10-18 mm; MIC 1.56-25 µg/mL) and moderate cytotoxicity. GC-MS analysis showed the presence of various bioactive compounds such as 5-hydroxymethylfurfural, n-hexadecanoic acid, linoleic acid, and β-bisabolene. These results confirm the ethnomedicinal significance of C. jagus and its potential as a region-specific source of bioactive compounds for antioxidant, antimicrobial, and future drug discovery purposes.

The root of Scutellaria baicalensis Georgi has been used as an oriental medicine resource for heat patterns with high fever. The current study is aimed at assessing in vitro antimicrobial and antioxidant activity of S. baicalensis. The disc diffusion and minimal inhibitoty concentration (MIC) method was used to measure the antimicrobial activity of three fractions of ethanol extract from S. baicalensis against three Gram-positive strains, three Gram-negative strains and one yeast. The ether and ethyl acetate fraction of root extract from S. baicalensis demonstrated the lowest MIC value of 0.5 mg/ml or 1.0 mg/ml against the tested microorganisms. All of the tested fractions of the root and shoot exhibited lower MIC value against Bacillus cereus, Bacillus subtilis, and Candida albicans; on the other hand, Lactobacillus brevis and Escherichia coli were not detected for MIC against any tested fractions. The antioxidant activity of the plant was evaluated by DPPH and ABTS radical scavenging assay. The 70% ethanol extract of the shoot had an IC50 value of 274.84±6.78 µg/mL against DPPH and 103.95±2.82 µg/mL against ABTS, while the 70% ethanol extract of the root had an IC50 value of 302.71±7.82 µg/mL against DPPH and 115.45±3.16 µg/mL against ABTS. The 70% ethanol extract of the shoot exhibited the highest antioxidant activity and the highest total phenolic and flavonoid contents. The root fraction exhibited higher antimicrobial activity than the shoot fraction; on the other hand, the shoot extract exhibited higher antioxidant activity than the root extract. Therefore, the shoot of Scutellaria baicalensis, like the roots, has the potential for natural resources for the food and pharmaceutical industry.