Search Results (199)

Argemone ochroleuca and Argemone mexicana are widespread weed species known for being rich in various secondary metabolites. However, a comprehensive understanding of their chemical diversity remains limited. Insufficient information exists on metabolite variation between plant parts and the influence of solvent polarity on metabolite recovery. Therefore, this study aimed to characterize the metabolomic profiles of the shoots and root extracts of both species using solvents of varying polarity to evaluate plant part-specific metabolite distribution and solvent effects on metabolome coverage. Untargeted ultra-high-performance liquid chromatography–quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS)-based metabolomics and molecular networking were employed for metabolite analysis. Principal component analysis (PCA) did not reveal clear clustering of A. ochroleuca and A. mexicana, suggesting similarities in their metabolomic profiles. A total of 15 and 13 metabolite classes, yielding 59 and 54 metabolites, were identified in A. ochroleuca and A. mexicana, respectively, including flavonoids, terpenoids, phenolic compounds, fatty acids, and monoterpenoids. Argemone ochroleuca exhibited higher metabolite abundance, particularly in methanol and acetone extracts, and with shoots showing higher abundance than roots, with flavonoids being the dominant class. The findings show that LC-MS metabolomics, molecular networking, and careful solvent selection are effective for identifying key metabolites with potential applications in crop protection. Full article

Eclipta prostrata is a medicinal plant widely used in traditional medicine because of its antioxidant and therapeutic properties; however, comprehensive information on the effects of drying methods on tissue-specific phytochemical composition remains limited. This study evaluated the influence of freeze drying (FD), shade drying (SD), and oven drying (OD) on the antioxidant activity, phenolic and flavonoid contents, elemental composition, and metabolomic profiles of flowers, leaves, roots, and stems of E. prostrata. Antioxidant activity was determined using DPPH, ABTS, and FRAP assays; elemental composition was analyzed by ICP-OES; and untargeted metabolomic profiling was performed using LC-QTOF-MS in both positive and negative ionization modes. Freeze-dried samples consistently exhibited the highest antioxidant capacity and retained the greatest total phenolic and flavonoid contents, particularly in flowers, whereas oven drying generally resulted in the greatest reduction in antioxidant activity, especially in roots. ICP-OES analysis demonstrated tissue-dependent differences in mineral composition, with calcium, potassium, magnesium, sodium, iron, zinc, and manganese being the predominant essential elements retained after drying. Untargeted metabolomics revealed tissue-specific metabolic responses to drying, with root tissues exhibiting the greatest metabolomic variation, whereas flowers and stems remained comparatively stable. Multivariate analyses indicated that drying primarily altered the relative abundance of metabolite classes rather than the overall metabolome. The major metabolites detected belonged to flavonoids, coumestans, phenolic acids, lipid-derived metabolites, amino acid derivatives, oxylipins, and triterpenoid/saponin-related compounds, which are associated with the medicinal properties of E. prostrata. These findings demonstrate that both plant tissue and drying method significantly influence the retention of bioactive compounds and provide valuable information for optimizing post-harvest processing to preserve the phytochemical quality and therapeutic potential of E. prostrata. Full article

Developmental regression, the loss of previously acquired language and social skills during the second year of life, affects 20–40% of children with autism spectrum disorder (ASD), yet its metabolic underpinnings remain poorly defined. Existing metabolomics studies have focused on amino acid and acylcarnitine alterations, leaving the eicosanoid, sphingolipid, and glycoconjugate axes largely unexamined.Plasma from 25 children with regressive ASD (REG+), 27 with non-regressive ASD (REG−), and 21 typically developing controls (aged 2–6 years) was profiled using untargeted Q-TOF LC/MS (Agilent 6530, ESI+ mode, 100–1700 m/z). From 6657 detected features, a stepwise curation pipeline combining statistical significance (raw p < 0.05 with Benjamini–Hochberg FDR correction, q < 0.05; FC > 1.5), analytical plausibility, endogenous origin verification, and literature-based directional alignment yielded a prioritized set of 14 annotated metabolic features.Exploratory PLS-DA (Partial Least-Squares Discriminant Analysis) visualization showed separation among the three groups within the present dataset; however, diagnostic or predictive performance was not evaluated. The 14-metabolite panel clustered along four biochemical axes. A feature putatively annotated as prostaglandin E3 (PGE3) showed a 7.13-fold reduction in REG+ versus controls (1.58-fold in REG−; FC REG+/REG− = 4.52). N-Acetylneuraminosyl-(α2-6)lactosamine and aspartylglycosamine were decreased 4.44-fold and 5.42-fold in REG+, respectively, with regression-specific amplification (FC REG+/REG− > 2.0). Six sphingolipid–myelin metabolites showed coordinated biosynthetic depletion and catabolic elevation in both ASD groups without regression specificity. DHEA-S exhibited the largest subgroup differential (FC REG+/REG− = 8.89), with paradoxically greater depletion in the non-regressive group.This exploratory study identified several plasma metabolic features showing abundance differences among children with REG+, REG−, and typically developing controls. These findings are hypothesis-generating and require confirmation using authenticated standards, targeted quantitative methods, and independently recruited cohorts before any diagnostic, predictive, or therapeutic relevance can be established. Full article

Lobostemon fruticosus (L.) H. Buek is an indigenous South African medicinal plant valued for its traditional therapeutic uses; however, information on its phytochemical variation and pyrrolizidine alkaloid (PA) content across geographical populations remains limited. This study investigated the secondary metabolite composition and PA accumulation in nine biological samples (three geographical locations × three biological replicates) of L. fruticosus collected from Rhodes Memorial, Doringrivier, and Grootnek Fontein in the Western Cape Province between January and March 2025 using untargeted UPLC-QTOF-MS and targeted LC-MS/MS, with values presented as mean ± standard deviation (SD). A total of 15 secondary metabolites of different classes were putatively annotated. Seven compounds, including kaempferol, jaceidin 7-rhamnoside, schizotenuin F, senburiside III, cosmosporaside B, lirioresinol A, and (−)-steganacin, are reported for the first time in L. fruticosus. Significant geographical variation (p < 0.05) was observed, with Doringrivier containing the highest relative abundances of rutin (4815.60 ± 18.96 mg CE g⁻¹ DW), rosmarinic acid (3846.89 ± 285.78 mg CE g⁻¹ DW), and rabdosiin (5142.10 ± 651.00 mg CE g⁻¹ DW). Six of the ten targeted PAs were detected, with lycopsamine N-oxide being the predominant alkaloid (3.89 mg kg⁻¹ in Grootnek Fontein). Principal component analysis explained 97.2% of the total metabolomic variation (PC1 = 72.6%; PC2 = 24.6%) and clearly separated the three geographical populations. The OPLS-DA model showed strong discrimination among populations (R²X = 0.725, R²Y = 0.998, and Q² = 0.994), supporting the presence of location-specific chemotypic differences. The observed chemotypic differences may be associated with variation in soil properties, climatic conditions, water availability, altitude, and nutrient status among the study sites. Collectively, the results provide a foundation for chemotype selection, quality control, conservation, and the safe medicinal utilization of this species. Full article

Ngueak Pla Mo is a Thai medicinal crude drug derived from the pharmacopoeial Acanthus species A. ebracteatus Vahl and A. ilicifolius L.; however, morphological similarity and the occurrence of non-pharmacopoeial substitutes such as A. montanus (Nees) T. Anderson may complicate authentication and quality control. This study aimed to develop an integrated molecular–chemical approach for differentiating pharmacopoeial Ngueak Pla Mo species from A. montanus. Twenty authenticated Acanthus samples were analyzed using ITS2 DNA barcoding, including nucleotide variation, pairwise genetic distance, barcode gap, haplotype network, phylogenetic analysis, and predicted ITS2 secondary structure. Representative samples were further examined by untargeted LC–QTOF/MS metabolite profiling combined with hierarchical clustering, PCA, PLS-DA, VIP analyses, fold-change evaluation, and specificity scoring. ITS2 analyses clearly separated A. montanus from A. ebracteatus and A. ilicifolius, supported by diagnostic sequence variation, positive barcode gaps, distinct haplotypes, phylogenetic clustering, and secondary-structure differences, whereas A. ebracteatus and A. ilicifolius could not be reliably differentiated from each other at the species level using ITS2. LC–QTOF/MS profiling revealed species-consistent metabolite patterns and prioritized gallic acid, catechol, 3,4-dihydroxybenzoic acid, trigonelline, and ursolic acid as preliminary candidate markers for A. montanus discrimination. These results indicate that combining ITS2 barcoding with metabolite profiling provides complementary evidence for Ngueak Pla Mo authentication and supports future quality-control development. Full article

Human skin is continuously exposed to microbial invasion and oxidative stress, highlighting the need for safe and effective natural skin-protective agents. This study aims to investigate the antibacterial, antioxidant, and anti-tyrosinase activities of methanolic leaf extracts of Syzygium nervosum collected from Chiang Mai (SNLM-CM) and Phayao (SNLM-PY), Thailand. LC–QTOF–MS analysis revealed distinct phytochemical profiles between the extracts, suggesting that geographical origin influenced their biological activities. Antibacterial activity against Staphylococcus aureus, Staphylococcus epidermidis, Pseudomonas aeruginosa, and Escherichia coli was evaluated, together with studies of bacterial membrane integrity. Antioxidant capacity was assessed using ABTS, DPPH, FRAP, and ORAC assays, while anti-tyrosinase activity and cytotoxicity toward normal human dermal fibroblasts (NHDF) were determined by MTT assay. Both extracts exhibited potent antibacterial activity, particularly against Gram-positive bacteria (S. aureus and S. epidermidis) likely through membrane disruption, as evidenced by propidium iodide uptake, intracellular DNA and protein leakage, and scanning electron microscopy observations. SNLM-CM showed stronger antioxidant activity, whereas SNLM-PY demonstrated greater anti-tyrosinase activity. The extracts maintained high NHDF viability at concentrations below 100 µg/mL and retained antibacterial efficacy when incorporated into a cleansing gel formulation. Overall, S. nervosum leaf extracts exhibit promising antibacterial, antioxidant, and anti-tyrosinase activities, warranting further investigation to optimize their safety and efficacy for dermatological and cosmetic use. Full article

Liquid chromatography–tandem mass spectrometry (LC-MS/MS) is widely employed in pesticide residue analysis. Machine learning methods for automated spectral interpretation depend on large, well-curated training datasets; however, publicly available pesticide mass spectrometry data are fragmented across heterogeneous repositories, lack standardized preprocessing, and suffer from incomplete metadata. We introduce PAID (Pesticide AI-ready Dataset), comprising two curated LC-MS/MS spectral collections derived from 15 public sources (GNPS, MassIVE, MoNA, MassBank). Starting from 91,420 raw spectra, after initial pesticide-directed screening, a seven-step reproducible pipeline—spanning multi-source integration, spectral cleaning, deduplication, metadata standardization, quality scoring, stratified splitting, and feature engineering—yields PAID-Strict (7527 spectra; 3197 compounds) and PAID-Extended (21,292 spectra; 3224 compounds). Both versions cover eight pesticide categories across QTOF and Orbitrap platforms, with core metadata fields (SMILES, InChIKey, molecular formula) exceeding 98% completeness. A feature suite of 32 chemoinformatic descriptors, 2214 molecular fingerprints, and 30 spectral features is provided alongside the spectra. Benchmark classification of the eight pesticide categories using XGBoost and LightGBM achieved 81.5% accuracy. The dataset, code, and pre-computed features are publicly available under CC BY 4.0 and MIT licenses. Full article

Antibiotic resistance has emerged as a major global health challenge, underscoring the urgent need for alternative therapeutic strategies capable of enhancing the efficacy of existing antibiotics. In this context, saponin-based nanomaterials have attracted considerable attention due to their potential as antibiotic-modulating systems. This study investigated a saponin-enriched fraction obtained from the bark of Sarcomphalus joazeiro Mart. (SEF-4), its application in the green synthesis of silver nanoparticles, and the antibiotic-modulating potential of the resulting nanoformulation. SEF-4 was obtained from the ethanolic bark extract through liquid–liquid partitioning (52% yield), followed by column chromatographic purification and chemical characterization using LC-ESI-QTOF-MS. The purified fraction was subsequently employed as both a reducing and stabilizing agent for the synthesis of silver nanoparticles (putative AgNP-SEF-4), which were physicochemically characterized. Antibacterial activity and antibiotic-modulating effects were evaluated using the broth microdilution method against standard and multidrug-resistant bacterial strains. LC-ESI-QTOF-MS analysis enabled the putative identification of five jujubogenin-type triterpenoid saponins bearing tetra-, penta-, and hexasaccharide moieties with distinct glycosylation profiles; however, the precise sugar sequence, monosaccharide composition, and glycosidic linkage positions remain to be confirmed through complementary NMR and hydrolysis studies. Although neither SEF-4 nor putative AgNP-SEF-4 displayed clinically relevant intrinsic antibacterial activity, the nanoformulation significantly enhanced the activity of aminoglycoside antibiotics. The most pronounced modulatory effects were observed against Klebsiella pneumoniae ATCC 1705 in combination with amikacin and against both standard and multidrug-resistant Escherichia coli strains when combined with gentamicin or amikacin. These findings highlight the potential of putative AgNP-SEF-4 as an antibiotic adjuvant capable of potentiating aminoglycoside efficacy and increasing bacterial susceptibility, including in multidrug-resistant strains. Full article

Superfoods have gained increasing attention for their nutritional and functional properties, with avocado (Persea americana Mill.) among the most prominent examples owing to its health-promoting compounds. However, avocado cultivation is associated with several challenges, including high water demand, environmental impact, seasonal variability, and post-harvest losses. To address these limitations, in vitro plant cell cultures represent a sustainable and controlled alternative for producing avocado-derived material. In this study, avocado var. Hass callus cultures were established and evaluated as a potential source of functional metabolites. Colourimetric assays performed at different growth stages identified 14-day-old callus as the most enriched in phenolic compounds and antioxidant activity; this material was therefore selected for further analyses. LC–ESI–QTOF–MS/MS profiling revealed a phenolic-rich composition, including flavonoids, proanthocyanidins, galloyl derivatives and phenylpropanoid-related compounds, consistent with vegetative plant tissues. Nutritional analysis showed high moisture content and low lipid levels, differing in composition from the avocado pulp, along with a high content of attention-grabbing nutrients, such as protein and fibre. Overall, although further studies are required to confirm compound identity and assess safety for future applications, avocado calli represent a promising sustainable platform for the production of value-added bioactive compounds. Full article

Papaver nudicaule L. is a medicinal plant traditionally used in Asian ethnomedicine, yet its phytochemical composition and biological activity remain insufficiently explored. This study bridges phytochemistry and neuroactive potential. It includes metabolite profiling with bioactivity-guided fractionation, performed to evaluate its potential as a source of acetylcholinesterase (AChE) inhibitors. The methanolic extract of the aerial parts was analysed using HPLC–ESI–QTOF-MS/MS, which enabled the tentative identification of 34 compounds, predominantly isoquinoline alkaloids and flavonoid derivatives. The extract was subsequently fractionated by centrifugal partition chromatography (CPC) using an optimised biphasic solvent system, yielding fractions enriched in alkaloid constituents. The obtained fractions were evaluated for AChE inhibitory activity, revealing significantly higher activity than that of the crude extract. The most active fractions exhibited marked inhibition based on the comparison with the reference compound berberine, indicating effective enrichment of bioactive metabolites. Further analysis demonstrated that the activity of the most potent fraction was associated with the presence of amurensinine, which was purified by preparative HPLC and subsequently identified by NMR and LC-MS. The Papaver nudicaule extract showed no significant cytotoxicity toward SH-SY5Y neuronal cells up to 200 µg/mL, whereas the amurensinine-containing fraction reduced cell viability only at higher concentrations (≥100 µg/mL). Notably, when expressed in the micromolar range, this effect corresponds to relatively weak cytotoxicity, suggesting a potential safety margin at lower, biologically relevant concentrations. These findings demonstrate that P. nudicaule possesses a highly diverse alkaloid profile and represents a promising natural source of compounds with potential relevance for the development of agents targeting neurodegenerative disorders. Full article

Plant-based symbiotic systems are often limited by poor storage stability and inconsistent biofunctional performance. This study evaluated the stability and functionality of a fermented blend based on sacha inchi (Plukenetia volubilis) oil press cake (SIC) and yacon (Smallanthus sonchifolius) flour (YF) as sources of protein and fructooligosaccharides (FOS), respectively, using two processing strategies: fermentation with Lactobacillus rhamnosus (T1) and combined enzymatic hydrolysis with Alcalase and fermentation with Lactobacillus plantarum (T2). Both treatments maintained viable cell counts (VCC) above probiotic thresholds (>10⁶ CFU mL⁻¹) during 28 days of storage at 4 °C, confirming their suitability as probiotic carriers. Notably, T2 significantly enhanced metabolic activity, as evidenced by higher organic acid production and increased soluble protein content due to Alcalase-mediated hydrolysis, which promoted the generation of bioactive peptides associated with improved antioxidant and antihypertensive activities. Biofunctional properties, including total phenolic content, antioxidant capacity (AC), and angiotensin-converting enzyme (ACE) inhibitory activity, remained stable throughout storage, while FOS degradation was minimal, confirming preservation of prebiotic functionality. LC–MS/MS Q-TOF analysis revealed a complex phenolic profile that was differentially modulated by lactic acid fermentation, with L. plantarum (T2) promoting extensive phenolic biotransformation and increased metabolite diversity, whereas L. rhamnosus (T1) largely preserved the original phenolic profile. These findings demonstrate that the synergistic interaction between enzymatic hydrolysis and L. plantarum fermentation promoted peptide release, intensified microbial metabolism, and enhanced phenolic biotransformation, thereby contributing to the superior functional properties observed in T2, while maintaining stable biofunctional characteristics throughout refrigerated storage in both treatments. Full article

The chemical composition and bioactivities of dry methanol extracts from roots, leaves and fruits of Prangos trifida (Apiaceae), collected in Serbia, were investigated. LC-DAD-QTOF-MS/MS analysis revealed 30 compounds, primarily polyphenols and coumarins. The root and leaf extracts were rich in chlorogenic and/or 3,5-di-O-caffeoylquinic acid (18.20–26.14 mg/g extract), and the fruit extract in oxypeucedanin hydrate and prantschimgin (46.50 and 71.64 mg/g). The leaf extract exhibited the highest total phenolic content (62.86 mg quercetin equivalents/g), total antioxidant activity (FRAP = 0.71 mmol Fe²⁺/g) and DPPH radical scavenging ability (44.08 mg quercetin equivalents/g). Antimicrobial activity testing (11 bacteria and three yeasts, microdilution method) showed that the most active were the root and leaf extracts against Micrococcus luteus, Staphylococcus aureus, S. epidermidis and Candida albicans (MIC = 0.625–5 mg/mL). The fruit extract showed the strongest cytotoxicity against tested stomach, colon and hypopharynx cancer cell lines (MTT test), with the highest selectivity toward hypopharynx cancer FaDu cells (selectivity index 4.71; determined in relation to non-cancerous VERO cells). No antiviral activity against herpesvirus type 1 was found. The results indicate that P. trifida represents a promising source of polyphenols and coumarins, notably expanding current knowledge on its chemical composition and supporting its potential relevance for pharmaceutical and food industry applications. Full article

Parkinson’s disease is strongly linked to lysosomal dysfunction, particularly reduced activity of glucocerebrosidase (GCase) encoded by the GBA1 gene. Stabilizing GCase using small-molecule modulators represents a promising therapeutic strategy. In this study, phytochemicals from Xylia xylocarpa (Roxb.) Taub., a medicinal plant with reported neuroprotective potential, were profiled using LC-QTOF-MS and evaluated as GCase stabilizers through an integrated computational approach. LC-MS analysis in positive and negative modes tentatively identified 19 metabolites, of which 13 low-molecular-weight compounds (<500 Da) were selected for molecular docking against human GCase. Docking revealed six compounds with higher predicted binding affinity than the reference activator Pyrrolopyrazine. Pharmacokinetic screening based on Lipinski’s rule of five and ADMET predictions identified Senbusine A as a viable lead candidate. It exhibited favorable binding interactions, forming stabilizing contacts within a non-catalytic inter-monomer interface associated with structural modulation of GCase. PASS analysis suggested a high probability of neuroactive properties. Molecular dynamics simulations (200 ns) confirmed stable binding and reduced conformational fluctuations compared to apo and control systems. Overall, computational predictions identify Senbusine A as a potential pharmacological chaperone-like stabilizer of GCase, exhibiting a favorable pharmacological profile and warranting further experimental validation. Full article

Background: Bacterial skin infections in companion animals, particularly those involving multidrug-resistant Pseudomonas aeruginosa and methicillin-resistant Staphylococcus, pose significant therapeutic challenges due to rising resistance and biofilm formation. While Piper betle is well-recognized in human medicine, data on its efficacy against veterinary isolates—and the comparative phytochemistry and potency of its extracts versus essential oils—remains scarce. Objective: This study evaluated the antimicrobial and antibiofilm efficacy of an ethanolic P. betle leaf extract compared to a panel of representative essential oils—including P. betle leaf oil, clove, tea tree, and plai—against 73 feline and canine clinical isolates. Methods: Minimum inhibitory (MIC) and bactericidal (MBC) concentrations were determined via broth microdilution. Biofilm inhibition was assessed using crystal violet staining to determine the minimum biofilm inhibitory concentration (MBIC). Phytochemical profiles were characterized using gas chromatography–mass spectrometry (GC–MS) and liquid chromatography–quadrupole time-of-flight mass spectrometry (LC–MS/MS-QTOF). Results: P. betle leaf extract exhibited superior anti-pseudomonad activity (mean MIC: 1.5 mg/mL; MBC: 1.9 mg/mL), demonstrating significantly greater potency than the tested essential oils. Among the essential oils, clove oil was the most effective against Staphylococcus strains (mean MIC: 0.8 mg/mL; MBC: 1.2 mg/mL). Despite 74.4% of P. aeruginosa and 90.0% of Staphylococcus spp. being strong biofilm producers, the P. betle extract demonstrated the highest inhibitory potency against P. aeruginosa (MBIC: 0.7 mg/mL) and, alongside clove oil, showed superior efficacy against Staphylococcus spp. (MBICs: 0.3 and 0.7 mg/mL, respectively). GC–MS analysis identified chavibetol (confirmed via standard spiking) and hydroxychavicol as the primary extract constituents. LC–MS/MS-QTOF profiling further revealed a prominent phenolic profile, including 2,3-dihydroxybenzoic acid and 3,4-dihydroxybenzaldehyde. Comparative analysis suggests that while clove oil efficacy is primarily driven by high eugenol content, the broad-spectrum potency of the P. betle extract arises from a complex phenolic richness, specifically the synergistic presence of hydroxychavicol and chavibetol. Conclusions: These findings confirm the robust potential of P. betle extract as a promising plant-based antiseptic for managing biofilm-associated infections and mitigating antimicrobial resistance in veterinary medicine. Full article

Background: Atopic dermatitis (AD) is a chronic inflammatory skin disorder characterized by oxidative stress and impaired skin barrier function. These pathological features contribute to persistent inflammation and symptom exacerbation, highlighting the need for therapies that can both reduce oxidative stress and modulate inflammatory pathways. Methods: Ulmus pumila Linné (Ulmi) was prepared via hot water extraction and tested for cytotoxicity, antioxidant activity, and anti-inflammatory effects in HaCaT keratinocytes stimulated with tumor necrosis factor-alpha (TNF-α) and interferon-gamma (IFN-γ). In vivo efficacy was assessed using a 2,4-dinitrochlorobenzene (DNCB)-induced AD model in SKH-1 hairless mice. Bioactive compounds were identified using liquid chromatography–quadrupole time-of-flight tandem mass spectrometry (LC-QTOF-MS/MS), and molecular docking analysis was performed to evaluate the binding affinity of these compounds to aldehyde dehydrogenase 2 (ALDH2). Results: 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assays confirmed that Ulmi was safe at concentrations up to 400 μg/mL. In TNF-α/IFN-γ-stimulated HaCaT cells, Ulmi significantly upregulated ALDH2 expression in a dose-dependent manner and reduced reactive oxygen species (ROS) production. The extract also suppressed pro-inflammatory mediators such as inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2), while inhibiting the activation of nuclear factor kappa B (NF-κB) and Janus kinase/signal transducer and activator of transcription (JAK/STAT) signaling pathways. In the AD mouse model, Ulmi treatment improved clinical skin scores, reduced epidermal thickness, and decreased inflammatory markers compared to untreated controls. LC-QTOF-MS/MS analysis identified eight bioactive compounds, with procyanidin B2, catechin, and epicatechin as major constituents. Molecular docking revealed that procyanidin B2 had the strongest binding affinity to ALDH2 (−9.5 kcal/mol). Conclusions: These findings demonstrate that Ulmi effectively ameliorates AD-like symptoms through ALDH2-mediated antioxidant mechanisms and anti-inflammatory effects. The results suggest that Ulmi may serve as a promising natural therapeutic agent for the management of atopic dermatitis. Full article