Search Results (351)

The progression of type 2 diabetes mellitus (T2DM) is shaped by a multifaceted interplay among genetic, behavioral, and environmental factors, alongside gut dysbiosis. Cinnamon, being abundant in polyphenols and flavonoids, shows significant antioxidant effects. Studies have substantiated that cinnamon contributes to the management of glucose and lipid metabolism. However, the anti-diabetic efficacy of cinnamon is not completely understood. The objective of this research was to clarify the anti-diabetic mechanism associated with cinnamon extract through a combination of chemical profiling, network pharmacology, and in vivo investigations. The results indicated that 32 chemical ingredients, including quercetin, were identified through UPLC-Q-TOF-MS. Network pharmacology revealed that 471 targets related to 14 compounds were screened. The analysis of GO enrichment revealed that the primary pathways were notably enhanced in the metabolism of insulin and glucose. In vivo analyses showed that cinnamon could effectively alleviate hyperglycemia, insulin resistance, and lipid metabolism abnormalities via increased relative abundance of Akkermansia and Ligilactobacillus at the genus level and a decreased Firmicutes/Bacteroidetes ratio at the phylum level. Moreover, cinnamon reduced the serum levels of lipopolysaccharide (LPS) and proinflammatory cytokines (IL-6 and TNF-α) and significantly increased the colon Zonula occludens-1 (ZO-1) and occludin protein levels. It was also observed that cinnamon improved the fecal SCFA levels (acetic, propionic, butyric, valeric and caproic acid), while also modifying the bile acid (BA) profile and increasing the conjugated-to-unconjugated BA ratio. The Western blotting analysis further demonstrated that cinnamon activated intestinal FXR/FGF15 and hepatic PI3K/AKT signaling pathways. In summary, the finding confirmed that cinnamon ameliorated glucose and lipid metabolism disorders by safeguarding the intestinal barrier and modulating the gut microbiota and metabolites, thereby activating intestinal FXR/FGF15 and hepatic PI3K/AKT signaling pathways. Full article

The quest to establish permanent outposts in space, the Moon, and Mars requires growing plants for nutrition, water purification, and carbon/nutrient recycling, as well as the psychological well-being of crews and personnel on extra-terrestrial platforms/outposts. To achieve these essential goals, the safety, quality, and sustainability of plant material grown in space should be comparable to Earth-grown crops. In this study, radish plants were grown at 2500 ppm CO₂ in two successive grow-outs on the International Space Station and at similar CO₂ partial pressure at the Kennedy Space Center. An additional control experiment was performed at the University of Louisiana Lafayette laboratory, at ambient CO₂. Subsequent analyses of glucosinolate and sugar species and content showed that regardless of growth condition, glucoraphasatin, glucoraphenin, glucoerucin, glucobrassicin, 4-hydroxyglucobrassicin, 4-methoxyglucobrassicin, and three aliphatic GSLs tentatively assigned to 3-methylpentyl GSL, 4-methylpentyl GSL, and n-hexyl GSL were present in all examined plants. The most common sugars were fructose, glucose, and sucrose, but some plants also contained galactose, maltose, rhamnose, and trehalose. The variability of individual secondary metabolite abundances was not related to gravity conditions but appeared more sensitive to CO₂ concentration. No indication was found that radish cultivation in space resulted in stress(es) that increased glucosinolate secondary metabolism. Flavor and nutrient components in space-grown plants were comparable to cultivation on Earth. Full article

Background: The therapeutic potential of natural products in cognitive disabilities has drawn growing attention, yet a comprehensive analysis of trends and key contributors is lacking. This study provides a bibliometric overview highlighting growth patterns, themes, and future directions. Methods: A comprehensive Scopus search with multistep filtering was conducted by applying keywords related to natural products and cognitive disabilities to titles, abstracts, and keywords, initially retrieving 10,011 documents. Filters for original articles and English language reduced the results to 5688. Data extracted in October 2024 were analyzed using Excel and the R-package, yielding performance and citation indices. Differential proliferation was visualized using a Sankey diagram, while thematic maps highlighted key research themes, geographic trends, and subject clusters. Results: The field exhibited an annual growth rate of 12.36% from 1971 to 2024, with 2021 being the most productive year (497 articles). In recent decades, citation metrics have highlighted significant impacts. Thematic maps and Sankey diagrams revealed the research focus, geographic trends, and collaboration. Alzheimer’s disease dominates the field, alongside topics such as oxidative stress, neuroprotection, and molecular docking. Emerging trends include ferroptosis, UPLC-Q-TOF-MS, and network pharmacology, which have marked advancements in therapeutic and computational approaches. Conclusions: This analysis underscores the dynamic and interdisciplinary nature of this field, highlighting areas for future exploration, particularly underrepresented cognitive disorders and novel therapeutic approaches. Full article

Background: Metabolic dysfunction-associated fatty liver disease (MASLD) is closely associated with immune dysregulation and macrophage-driven inflammation. The activation of PPARG plays a critical role in modulating macrophage polarization and lipid metabolism, suggesting its potential as a therapeutic target for MASLD. Methods: We used UPLC-Q/TOF-MS and network pharmacology to investigate the key components and targets of Swertia davidi Franch, focusing on Swertianin. In vitro experiments on macrophages were conducted to assess the modulation of M1 polarization, and a mouse model of MASLD was utilized to explore the therapeutic effects of Swertianin. Results: Swertianin activated PPARG, leading to significant inhibition of M1 macrophage polarization, a reduction in lipid accumulation, and decreased inflammatory marker levels both in vitro and in vivo. The treatment significantly improved liver pathology in mice, indicating its therapeutic potential for MASLD. Conclusions: Swertianin’s activation of PPARG provides a novel mechanism for treating MASLD, targeting both macrophage polarization and inflammation. Full article

In traditional Chinese medicine, Marsdenia tenacissima is employed to prevent and treat lung cancer. The anti-tumor properties are further amplified by the fermentation product of Ganoderma lucidum and Marsdenia tenacissima (MGF). Nevertheless, the efficacy of the chemical components in combating lung cancer and the potential therapeutic targets for treating the disease remain ambiguous. UPLC-Q-TOF/MS was used to identify 19 components, all of which are unique C₂₁ steroidal saponins found in MGF. The analysis of network pharmacology indicated that the active targets of these components were significantly concentrated in lung cancer and had a strong connection with cell proliferation. The bioinformatics analysis was conducted on data from TCGA and DisGeNET to identify a total of 28 biomarkers. Furthermore, our findings showed that the 19 targets connected to the active ingredients of Marsdenia tenacissima demonstrated significant enrichment in both the EGFR and apoptosis signaling pathways. Molecular docking technology was utilized to confirm the binding interactions of the primary constituents with the designated target. Full article

Structural characterization of natural products in complex herbal extracts remains a major challenge in phytochemical analysis. In this study, we present a novel post-acquisition data-processing strategy—key ion diagnostics–neutral loss filtering (KID-NLF)—combined with ultra-high-performance liquid chromatography–quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) for systematic profiling of the medicinal plant Terminalia chebula. The strategy consists of four main steps. First, untargeted data are acquired in negative electrospray ionization (ESI⁻) mode. Second, a genus-specific diagnostic ion database is constructed by leveraging characteristic fragment ions (e.g., gallic acid, chebuloyl, and HHDP groups) and conserved substructures. Third, MS/MS data are high-resolution filtered using key ion diagnostics and neutral loss patterns (302 Da for HHDP; 320 Da for chebuloyl). Finally, structures are elucidated via detailed spectral analysis. The methanol extract of T. chebula was separated on a C18 column using a gradient of acetonitrile and 0.1% aqueous formic acid within 33 min. This separation enabled detection of 164 compounds, of which 47 were reported for the first time. Based on fragmentation pathways and diagnostic ions (e.g., m/z 169 for gallic acid, m/z 301 for ellagic acid, and neutral losses of 152, 302, and 320 Da), the compounds were classified into three major groups: gallic acid derivatives, ellagitannins (containing HHDP, chebuloyl, or neochebuloyl moieties), and triterpenoid glycosides. KID-NLF overcomes key limitations of conventional workflows—namely, isomer discrimination and detection of low-abundance compounds—by exploiting genus-specific structural signatures. This strategy demonstrates high efficiency in resolving complex polyphenolic and triterpenoid profiles and enables rapid annotation of both known and novel metabolites. This study highlights KID-NLF as a robust framework for phytochemical analysis in species with high chemical complexity. It also paves the way for applications in quality control, drug discovery, and mechanistic studies of medicinal plants. Full article

Trimethylamine N-oxide (TMAO) is a gut microbial metabolite of dietary precursors, including choline and carnitine. Elevated levels of TMAO in human plasma have been associated with several diseases such as cardiovascular, diabetes mellitus, chronic kidney disease, neurological disorders, and cancer. This has led to an increased interest in the accurate determination of TMAO in human blood, for which a reliable, cost-effective and sensitive analytical method should be established. LC-MS/MS has emerged as a powerful tool for the determination of TMAO due to its high sensitivity, specificity, and ability to handle complex matrices. Herein, we describe the development and validation of an LC-MS/MS method for the determination of TMAO in human blood plasma. Our method involves a simple sample preparation protocol, involving a protein precipitation step along with a non-deuterated IS, followed by a Liquid Chromatography-Mass Spectrometry (LC-MS/MS) analysis using a triple quadrupole mass spectrometer. Additionally, the method was adapted and implemented on an UPLC-QTOF/MS. The method was validated using the guidelines set by the European Medicines Agency (EMA) and the US Food and Drug Administration (FDA) for assay performance and robustness in human plasma and successfully applied to plasma derived from healthy and hyperlipidemic volunteers. The developed method was found to be specific, sensitive, and accurate for the determination of TMAO in human plasma, with a lower limit of quantification of 0.25 µM. The intra- and inter-assay precision and trueness were within acceptable limits. Full article

To investigate the therapeutic impact of Forsythia suspensa extract (FS) on RSV-infected mice and explore its antiviral pharmacodynamic foundations. Methods: An integrated analytical approach, combining UPLC-Q-TOF/MS with network pharmacology, was employed to analyze and identify the chemical constituents in FS, particularly those exhibiting antiviral properties against RSV. The study integrated network pharmacology and metabolomics for further analysis, and molecular docking and interaction experiments were conducted to validate the pharmacodynamic mechanisms. Finally, an RSV pneumonia mouse model was employed to evaluate the therapeutic influence of FS, including pathological and immunohistochemistry assessments. Twenty-five components in FS were identified through UPLC-Q-TOF/MS analysis. Integrated network pharmacology data revealed 43 effective components and predicted 113 potential targets of FS for anti-RSV activity. Metabolomics analysis identified 14 metabolite biomarkers closely linked to RSV-induced metabolic disruptions involving pathways. Moreover, molecular docking and Biacore experiments provided additional confirmation that FS primarily exerts its effects through compounds such as rutin, quercetin, and kaempferol. Immunohistochemistry experiments demonstrated a significant reduction in the expression of relevant proteins following FS administration, affirming its capacity to ameliorate lung inflammation induced by RSV infection through the modulation of Toll-like receptor signaling pathways. The data presented in this study illustrate that FS exerts its anti-RSV effects by regulating the Toll-like receptor signaling pathway and the arachidonic acid metabolism pathway via rutin, quercetin, and kaempferol. Furthermore, the approach of combining network pharmacology with metabolomics proves to be an effective research strategy for investigating the bioactive constituents of medicinal plants and elucidating their pharmacological effects. Full article

The color of tuber skin exhibits remarkable diversity in potato (Solanum tuberosum L.) and is intricately associated with variance in anthocyanin accumulation across different varieties. The regulatory mechanisms governing this phenomenon are poorly understood. In this study, we identified a natural, yellow-skinned variant (Z28M) from the red-skinned tetraploid variety, Zhongshu 28 (Z28W), using simple sequence repeat (SSR) molecular marker amplification and trait observation. The transcriptional regulatory mechanisms underlying tuber skin color variation were investigated by analyzing anthocyanin profiles and transcriptomic data at the developmental and maturation stages. Ultra-performance liquid chromatography (UPLC-QTOF-MS) analysis indicated markedly reduced levels of pelargonidin and peonidin in Z28M compared with those in Z28W. Transcriptome profiling identified 1858 differentially expressed genes between Z28W and Z28M, with significant enrichment in the flavonoid and phenylpropanoid biosynthetic pathways. Weighted gene co-expression network analysis indicated a red-skinned associated module, MEred, encompassing key anthocyanin biosynthetic genes co-expressed with the transcription factor, StMYB3, which exhibited substantially higher expression in Z28W than in Z28M. K-means clustering indicated coordinated expression patterns among StCHS, StDFR, and StMYB3, suggesting transcriptional co-regulation. Collectively, these results highlight StMYB3 as a pivotal regulator of anthocyanin biosynthesis and a contributor to the tuber skin color divergence observed between Z28W and Z28M. Full article

Cassava is a tropical tuberous root crop, feeding over a billion people globally. However, research on the chemical composition and bioactive effects of cassava leaves remains scarce. Two specific varieties of South China No. 9 (green leaves (G.L.)) and South China No. 20 (purple leaves (P.L.)) were investigated in this study. The components of G.L. and P.L. were analyzed under different extraction methods using ultra-performance liquid chromatography time-of-flight mass spectrometry (UPLC-Q-TOF/MS). Results showed that cassava leaf extracts are rich in bioactive metabolites such as D-(+)-mannose, trigonelline, rutin, kaempferol-3-O-rutinoside, and oleamide. To assess the anti-inflammatory efficacy of bioactive compounds, animal models were established. Compared to the histamine group (NA), the group treated with the extracts had reduced epidermal thickness in hematoxylin and eosin (HE) staining. Further analysis revealed a drastic reduction in the number of mast cells in toluidine blue (TB) staining and expression levels of inflammatory cytokines (IL-17 and TNF-α) in immunohistochemistry (IHC) staining. The ethanolic extracts from the leaves demonstrated potent anti-inflammatory activities, with the extract from G.L. surpassing that from P.L. Transcriptomic analyses propose that the anti-inflammatory effects of cassava leaves may be related to the modulation of genes involved in mast cell activation, such as Cma1, Cpa3, and Fn1, among others. Network pharmacology unveiled that the extract of cassava leaves modulates pathways associated with apoptosis, inflammation, and metabolism. Molecular docking revealed strong binding interactions between 1-stearoylglycerol and oleamide from cassava leaves extracts and the proteins of AKT1, TNF, and BRAF. Overall, cassava leaf extracts seem to be a promising natural anti-inflammatory agent. Full article

Background: Sensitive skin exhibits impaired skin barrier function. The lipid composition of the skin, a pivotal element within the stratum corneum’s “brick-and-mortar” structure, plays a dual role: it is integral to cell differentiation processes and serves as a vital nutrient reservoir for cutaneous microbiota, thereby influencing the skin’s microecological balance. There is a notable research gap concerning the comparative analysis of physiological parameters and lipid profiles among individuals with sensitive dry skin (SDS), sensitive oily skin (SOS), and healthy skin (HS). Methods: A total of 95 females (18–25 years) were grouped: SDS (n = 32), SOS (n = 31), and HS (n = 32). Stratum corneum water content, oil content, and TEWL were measured. Lipids from sebaceous glands and stratum corneum (tape-stripping) underwent UPLC-QTOF-MS analysis. Differential lipids were identified via OPLS-DA, volcano plots, and LMSD. Results: In terms of physiological indicators, notable disparities emerged in oil content and stratum corneum water content between the SOS and both the HS and the SDS. Sensitive skin, whether dry or oily, displayed a higher transepidermal water loss (TEWL) value than healthy skin, reflecting a declined state of skin barrier function. Regarding the sebum samples, the relative percentages of sphingolipids (SP) and glycerophospholipids (GP) were significantly higher in SDS. Regarding the stratum corneum samples, the percentages of SP in SDS were significantly higher. Conclusions: This study, for the first time, conducted a comprehensive analysis of the skin’s physiological properties, lipidomics of sebum, and stratum corneum lipids among groups with SDS, SOS, and HS. These observations indicate a profound association between skin barrier dysfunction in SDS individuals and, in particular, sphingolipids (SP). Full article

This research proposes to systematically investigate the cardioprotective mechanisms of Pericarpium Trichosanthis injection (PTI) against acute myocardial ischemia through an integrated approach combining ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) constituent profiling, UNIFI database-assisted component identification, network pharmacology-guided target prediction, molecular docking verification, and in vivo experimental validation. The multimodal methodology is designed to comprehensively uncover the therapeutic benefits and molecular pathways underlying this traditional Chinese medicine formulation. Methods: UPLC-Q-TOF/MS and the UNIFI database were used in conjunction with a literature review to screen and validate the absorbed components of PTI. Using network pharmacology, we constructed protein-protein interaction (PPI) networks for pinpointing prospective therapeutic targets. In addition, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses were performed to identify potential signaling pathways. In vivo experiments were conducted to investigate the mechanisms by which PTI ameliorated isoproterenol-induced myocardial injury in rats. All animal experiments have adhered to ARRIVE guidelines. Results: UPLC-Q-TOF/MS revealed 11 core active components in PTI. Network pharmacology prioritization identified pseudoaspidin, ciryneol C, cynanoside M, daurinol, and n-butyl-β-D-fructopyranoside as central bioactive constituents within the compound-target interaction network. Topological analysis of the protein interactome highlighted AKT1, EGFR, MMP9, SRC, PTGS2, STAT3, BCL2, CASP3, and MAPK3 as the most interconnected nodes with the highest betweenness centrality. Pathway enrichment analysis established the PI3K/Akt signaling cascade as the principal mechanistic route for PTI’s cardioprotective effects. Molecular docking simulations demonstrated high-affinity interactions between characteristic components (e.g., cynanoside M, darutigenol) and pivotal targets including PTGS2, MAPK3, CASP3, and BCL2. In vivo investigations showed PTI treatment markedly attenuated myocardial tissue degeneration and collagen deposition (p < 0.05), normalized electrocardiographic ST-segment deviations, and suppressed pro-inflammatory cytokine production (IL-6, TNF-α). The formulation concurrently reduced circulating levels of cardiac injury indicators (LDH, cTnI) and oxidative stress parameters (ROS, MDA), Regarding apoptosis regulation, PTI reduced Bax, caspase-3, and caspase-9, while elevating Bcl-2 (p < 0.05), effectively inhibiting myocardial cell apoptosis with all therapeutic outcomes reaching statistical significance. These findings highlight PTI’s protective effects against myocardial injury through multi-target modulation of inflammation, oxidation, and apoptosis. Conclusions: PTI exerts its therapeutic effects in treating acute myocardial ischemia by regulating and suppressing inflammatory responses, and inhibiting cardiomyocyte apoptosis. Full article

This study investigated the therapeutic mechanism of Rehmanniae Radix Praeparata (RRP) in treating blood deficiency syndrome (BDS) through integrated chemical analysis and pharmacological validation. UPLC-Q-TOF-MS identified chemical components of Rehmanniae Radix (RR) and RRP, with network pharmacology analysis suggesting AKT1 and NOS3 in the PI3K-AKT pathway as potential therapeutic targets. Pharmacodynamic evaluations using ELISA, hematological analysis, histopathology, and immunohistochemistry demonstrated RRP’s efficacy in improving hematological parameters, energy metabolism, and organ pathology in BDS mice. Experimental validation via RT-qPCR and Western blot confirmed significant upregulation of AKT1 and NOS3 mRNA and protein expression following RRP treatment. The findings indicate that RRP alleviates BDS by activating the PI3K-Akt signaling pathway to modulate AKT1 and NOS3 expression, providing mechanistic insights into its therapeutic actions. Full article

The purpose of this study was to evaluate the gene expression pattern of the caries-inhibiting effect of Cudrania tricuspidata (C. tricuspidata) extract on cariogenic bacteria Streptococcus mutans (S. mutans). We examined bacterial growth, tooth surface attachment, biofilm formation, acid production, free calcium release, and toxicity gene expression. The major components of the extract were investigated by UPLC-Q-TOF-MS analysis. Exposure to C. tricuspidata inhibited bacterial growth and attachment at concentrations of ≥15 μg/mL. Inhibition effects on biofilm formation, acid production, and free calcium release due to acid production were observed at concentrations ≥ 30 μg/mL. S. mutans virulence gene expression analysis showed that it inhibited the expression of gbpB and spaP, which mediate bacterial attachment to the tooth surface, and that of genes contributing to biofilm formation (gtfB, gtfC, and gtfD) and acid resistance (brpA and relA), and regulation (vicR). Analysis using UPLC–Q–TOF–MS/MS showed that the main component was phenylpropanoids. These results suggest that C. tricuspidata may inhibit the cariogenic properties associated with the expression of caries-related genes in S. mutans. Full article

Mulberry leaves contain polysaccharides, phenols, alkaloids, and other active ingredients which have medicinal and edible value. In this study, fermented mulberry leaf powder was prepared by solid-state fermentation using Pediococcus pentosaceus JC30. The effects of the fermentation on the phytochemical, flavor characteristics, phenolics, and antioxidant activity of mulberry leaves were studied. The results showed that the content of γ-aminobutyric acid in fermented mulberry leaf powder (FMLP) increased by 6.73-fold and the content of phytic acid decreased by 11.16%. Ultra-high-performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) analysis showed that the fermentation of Pediococcus pentosaceus JC30 altered the phenolic composition of mulberry leaves, increasing the total free phenolic content by 88.43%. In particular, the contents of free phenols such as leucocyanidin, myricetin, and quercetin increased significantly and were positively correlated with antioxidant capacity. The fermentation of Pediococcus pentosaceus JC30 significantly enhanced the scavenging ability of DPPH free radicals, hydroxyl radicals, and the total reducing ability of mulberry leaves. Gas chromatography ion mobility spectrometry (GC-IMS) analysis showed that FMLP has an intense fruity and floral aroma, while having less grassy and earthy odor. The fermentation improved the phytochemical, flavor, and nutritional value of mulberry leaves, which provides more possibilities for the development of mulberry leaf products outside the sericulture industry. Full article