3α-Hydroxysteroid dehydrogenase type 3 (3α-HSD3) is a key steroid-metabolizing enzyme involved in the regulation of intratumoral androgen and estrogen levels, predominantly in estrogen receptor-positive (ER⁺) MCF-7 breast cancer cells. Its dysregulation influences proliferation, survival, and resistance to hormone-based therapy. The main goal of this study is to identify potential natural inhibitors of 3α-HSD3 from Terminalia arjuna phytoconstituents to modulate MCF-7 breast cancer cell proliferation. A panel of nine phytochemicals were evaluated through molecular docking, ADMET profiling, HOMO-LUMO energy gap analysis, and prediction of activity spectra for substances (PASS) to assess their drug-likeness and preliminary activity. Subsequently, molecular dynamics (MD) simulations were performed on top candidates to explore the structural stability and interaction dynamics of protein-ligand complexes. The selected compounds exhibited favorable docking scores against 3α-HSD3, with Luteolin(CMP1), Leucocyanidin(CMP2), Gallic Acid(CMP3), and Ellagic Acid(CPM4) forming stable hydrogen bonds with key active site residues. This study showed that the top four compounds may serve as potential 3α-HSD3 inhibitors of breast cancer, warranting further in vivo validation.

Multi-omics chemical and biochemical profiling reveals ellagic acid enhances insulin sensitivity via gut microbiota-tryptophan-indole signaling mechanism.

Cellulose helical foam with multi-strategy optical metasurface via synergistic light trapping for superior interfacial solar energy generation.

Integrated network pharmacology, metabolomics, and proteomics analysis of Shiqi Waigan Granules for treating exogenous febrile disease.

Tuning setting behavior, ion release, and pH stability of calcium hydroxide cement via carbonate-hydroxyapatite and ellagic acid

Phenolic compounds' impact on gut microbiota: Insights from in vitro batch fecal fermentation for composition modulation.

Valorization of avocado (cv. Hass) waste powder in industrial-scale sourdough "ciabatta" bread production: Impact on microbial dynamics, quality attributes, and phenolic bioaccessibility.

Electrosprayed chitosan-coated alginate microspheres for ellagic acid/urolithins delivery: Characterization, digestion and antioxidation.

Physically crosslinked polyphenol-chitosan edible coating for the application of walnut kernels during roasting.

Effect of Fipronil on the Postnatal Development of the Red Nucleus in Albino Rats and the Possible Ameliorative Role of Ellagic Acid

Hypertension is a major global health concern, and the exploration of natural compounds as potential antihypertensive agents has been a recent area of study.. The ancient medicinal tree Terminalia arjuna is very potent for treating cardiovascular conditions. Its bark is rich in bioactive compounds, such as flavonoids, tannins, and triterpenoids, which exhibit cardioprotective properties. This research focused on identifying and characterizing antihypertensive phytoconstituents of Terminalia arjuna through molecular docking, dynamic simulations, and DFT studies. We systematically screened bioactive compounds from the plant for their ability to interact with key targets (PDB:2X96), which are involved in the regulation of blood pressure using AutoDock Tools 1.5.7. The dynamic behavior of the complexes was evaluated using molecular dynamics (MD) simulation in the GROMACS package program (version 2022.2). DFT calculations were performed using DMol3 (Discovery Studio Client) to determine molecular electronic properties. We identified Quercetin and Ellagic acid as promising ligands with strong binding affinities and significant pre-ADMET analysis database. Further, molecular dynamics simulations (500 ns) provided insights into the stability and binding modes of these selected compounds, highlighting their potential for long-term efficacy. DFT calculations were employed to evaluate the electronic properties, such as frontier molecular orbital analysis and electrostatic potential mapping, revealing the reactivity and interaction profiles of the compounds. The docking scores and MMGBSA binding free energy value of Ellagic acid with AnCE-RXPA380 complex target protein were found to be -9.5 and -17.94 kcal/mol, respectively, which is higher as compared to Captopril (--5.7 and --4.36 kcal/mol kJ/mol). Ellagic acid exhibits more conventional hydrogen binding efficiency at 2X96 receptor with GLN A:361, THR A:364, ASP A:360, LYS A:495, and GLN A:265, respectively, providing a scientific basis for its use in hypertension management Furthermore. Our results suggest that Ellagic acid from Terminalia arjuna possesses significant antihypertensive potential due to the highest binding efficiency with 2X96 receptor. However, in vitro, and in vivo experimentation are needed to validate the antihypertensive potential of Ellagic acid in the future.

Clot Waveform Analysis (CWA) has been studied in bleeding disorders but remains poorly explored in thrombotic conditions. The aim was to evaluate the performance of CWA parameters for detecting hypercoagulability in venous thrombosis. A study was conducted in 2023 at the hematology laboratory of La Rabta university hospital (Tunis, Tunisia), including patients with a history of venous thrombosis and healthy controls. Analyses were performed on an ACL TOP 350 analyzer (Instrumentation Laboratory (IL)) using two activated partial thromboplastin time (aPTT) reagents from IL: SynthAFax (SFX); activator: ellagic acid and SynthASil (SS); activator: silica and one prothrombin time (PT) reagent: RecombiPlasTin (RPT); IL. The CWA parameters evaluated were Max1, Max2, and Min2 derived from aPTT, and Max1 derived from PT. CWA parameters were higher in patients (N=50) than in controls (N=100) with all three reagents. With SFX, patients were 4.1 times more likely to exceed the Max1 threshold (87% specificity, 38% sensitivity; p< 0.001), and 3.9 times for Min2 threshold (91% specificity, 28% sensitivity; p= 0.002). With SS, patients were 3.1 times more likely to exceed Max1 threshold (77% specificity, 48% sensitivity; p= 0.002), 31.3 times for Max2 threshold (99% specificity, 24% sensitivity; p< 0.001), and 2.6 times for Min2 threshold (55% specificity, 68% sensitivity; p= 0.008). The thresholds for RPT:Max1 and SFX:Max2 could not be determined due to non-discriminative ROC curves between patients and controls. CWA parameters reflected hypercoagulability, but their low sensitivity would limit their use as a screening test.

Amalakyadi churna is a well-known Ayurvedic formulation; contains four main Plants: Amalaki (Emblica officinalis), Chitrak (Plumbago zeylanica), Haritaki (Terminalia chebula) and Pippali (Piper longum), which are rich sources of Gallic acid(GA), Plumbagin(PB), Ellagic acid(EA) and Piperine(PR). The present study aimed to develop and validate an HPTLC method for the simultaneous estimation of these phytoconstituents in Amlakyadi churna. Optimal separation was done with a mobile phase of Toluene, Ethyl acetate, Formic acid (5:4:1; v/v/v) that ensured efficient separation of all selected phytoconstituents. The developed method was validated according to ICH Q2(R2) guidelines.GA, PB, EA and PR showed good linearity in the range of 2000–10000 ng band−1 with Regression coefficient (R2) value 0.9989,0.998,0.9984 & 0.9985. The corresponding Rf values were 0.23, 0.29, 0.62 and 0.91. Recovery studies established accuracy with mean recoveries between 99.66% and 100.1% with %RSD <2. The developed method was found to be precise with %RSD 1.26(GA), 1.12 (PB),0.88 (EA), 0.90(PR) for Interday while 1.07(GA),1.06(PB),1.22(EA),1.12(PR) for Intraday study. LOD values for GA,PB,EA,PR were 401.94,531,483.63,483.16 ng/band while LOQ values of 1218,1609.90,1465.55,1464.12 ng/band were found. The method was found to be simple, sensitive, accurate, precise and robust for routine qualitative and quantitative analysis of Gallic acid, Plumbagin, Ellagic acid and Piperine in Amalakyadi churna and related herbal formulation.

Psidium cattleyanum Sabine (strawberry guava, araçá) is an ethnomedicinal plant with reputed health benefits; however, its potential for treating skin disorders remains underexplored. This study aimed to characterize the phytochemical profile of P. cattleyanum leaves from Cabo Verde and evaluate their bioactivity relevant to skin health. Phytochemical analysis was performed using high-performance liquid chromatography-mass spectrometry (LC-MS) and spectrophotometric assays. Key biological activities were assessed in vitro, including antioxidant capacity (free radical scavenging assays), anti-aging enzyme inhibition (collagenase, elastase, and tyrosinase), and antibacterial activity against skin pathogens (agar diffusion, minimum inhibitory concentration, and combination studies with standard antibiotics). Cytotoxicity was evaluated using Vero cells (MTT assay). Additionally, a topical cream containing the leaf extract was formulated and subjected to physicochemical stability and sensory testing. LC-MS revealed a rich polyphenolic composition in the leaf extract, including abundant phenolic acids (gallic and ellagic acid derivatives) and flavonoid glycosides. The extract exhibited a high total phenolic content and strong antioxidant activity in DPPH/ABTS assays. It showed potent inhibition of collagenase, elastase, and tyrosinase, indicating an anti-aging effect against wrinkle formation and hyperpigmentation. The extract also demonstrated broad antimicrobial efficacy against skin-associated bacteria, such as Staphylococcus aureus and Cutibacterium acnes, with no antagonism and partial synergism observed when combined with certain antibiotics. The P. cattleyanum extract was successfully incorporated into a cream formulation that remained physically and chemically stable (no phase separation, consistent droplet size, and pH) over 90 days, with good homogeneity and acceptable sensory characteristics (neutral odor, smooth texture, and good spreadability). P. cattleyanum leaves from Cabo Verde are a rich source of bioactive compounds with multifunctional dermatological benefits. This study demonstrates that the P. cattleyanum leaf extract exhibits significant antioxidant, antimicrobial, and anti-aging activities in vitro, supporting its potential use as a natural ingredient for skin care.

Among the various cultivation techniques for fruit trees, foliar fertilization is an effective method of delivering nutrients directly to the leaves to improve nutrient status and ultimately enhance yield and fruit quality. In walnut trees (Juglans regia L.), foliar fertilization can enhance physiological activity by enabling rapid nutrient absorption through the foliage. Accordingly, this study evaluated how different foliar nutrient formulations influence the antioxidant capacity and bioactive compound profiles of walnut kernels. The foliar fertilization treatments included B + Zn (T1), P + K (T2), N + K + Ca + Mg (T3), N + P + K + Mg + micronutrients (T4), and a control group without treatment. Walnut kernels were analyzed for total phenolic and flavonoid contents, antioxidant activities (ABTS and DPPH), and ellagic acid concentration. The total polyphenol contents for T1, T2, T3, T4, and the control were 31.40, 26.13, 23.70, 29.03, and 22.25 mg GAE·g−1, respectively. Corresponding ABTS radical-scavenging activities were 96.0%, 87.2%, 79.6%, 92.2%, and 77.1%, with the T1 treatment exhibiting the highest values for both total polyphenols and ABTS activity. Additionally, the ellagic acid content was highest in the T1 group at 0.695 mg·g−1, representing a significant increase compared with the other treatments. Overall, the B + Zn treatment (T1) most effectively enhanced antioxidant-related traits in walnut kernels, indicating that foliar nutrient composition is a key determinant of kernel functional quality. In conclusion, it is deemed that the antioxidant activity and antioxidant content of walnut kernels were affected by the method of foliar fertilization when cultivating walnut trees.

Pecan nuts are oilseeds, well recognized for their constituent unsaturated fatty acids. Pecan cultivation in the state of Rio Grande do Sul has increased in recent years, warranting greater information on the composition of this oilseed. Therefore, the present study aimed to evaluate the physicochemical characteristics, fatty acid profile, and bioactive compounds of the pecan cultivars grown in the southern region of Rio Grande do Sul. Fruit samples from seven cultivars and a selection of pecan trees were subjected to experiments to evaluate the color, centesimal composition, oil content, acidity, peroxide value, specific extraction coefficient, composition of fatty acids, tocopherols, and phenolic compounds. The resulting data were analyzed statistically using Tukey’s test. The ‘Elliot’ cultivar was revealed to have the greatest lipid content with 77.08%. The ‘Shawnee’ cultivar exhibited higher oxidation levels, represented by the high acidity and greater peroxide content in the samples. The ‘Elliot’ cultivar presented the highest gamma-tocopherol index, while the ‘Success’ cultivar presented the highest delta-tocopherol index. The ‘Shawnee’, ‘Elliot’, and ‘Mohawk’ cultivars exhibited higher amounts of saturated fatty acids, monounsaturated fatty acids, and polyunsaturated fatty acids, respectively. The main phenolic compounds identified and quantified in the pecan nut samples were gallic acid, procyanidin type B, (+)-catechin, methyl gallate, ellagic acid pentose, ellagic acid, and methylated ellagic acid pentose. The fatty acid profile varied with the cultivars, although unsaturated fatty acids remained predominant, indicating better nutritional quality and a greater oxidation potential.

Calotropis procera is a medicinally significant plant valued for its diverse bioactive pharmacological compounds. Environmental stimuli, such as static magnetic field (SMF), can act as potent elicitors, altering its metabolic pathways. This study investigates the impact of SMF exposure (150 mT) for 0, 1, 2, or 3h on primary and secondary metabolite components, antioxidant responses, and gene expression of C. procera callus cultures. SMF induced significant, time-dependent metabolic changes. Soluble sugars increased 1.6-fold after 3h, while soluble proteins declined to 0.47-fold of controls. Phenylpropanoid biosynthesis was markedly enhanced, with phenolics and flavonoids increasing 7.5- and 3.2-fold, respectively. HPLC analysis revealed a coordinated upregulation of phenolic and flavonoid compounds. Kaempferol and ellagic acid showed a 115% increase, while gallic acid and quinic acid derivative increased by over 116%. Conversely, cardiac glycosides and saponins were suppressed. Concurrently, SMF exposure triggered ROS, with levels of O2-•, H2O2, OH•, and MDA increasing by 462, 117, 160, and 233%, respectively. However, the antioxidant capacity significantly improved, showing 6.91 and 25.93% increases in AsA and GSH levels, alongside 2.32- and 0.30-fold increases in DPPH• scavenging and total antioxidant activity. CAT, POD, and SOD activities declined, while GR activity increased. Gene expression analysis revealed profound upregulation of phenylpropanoid pathway enzymes, particularly PAL (549.89-fold), CHI (100.60-fold), and F3H (50.90-fold). These results demonstrated that SMF elicited coordinated metabolic reprogramming in C. procera, enhancing non-enzymatic antioxidants and phenylpropanoid biosynthesis while suppressing steroidal pathways and enzymatic antioxidant activity, highlighting its potential as a biophysical tool for metabolic engineering.

Chinese olive (Canarium album L.) is a rich source of phenolic compounds and has been suggested to exhibit distinct lipid-lowering bioactivities from those reported for Mediterranean olive polyphenols. This study investigated the effects of polyphenol-rich Chinese olive extracts on sodium oleate-induced lipid accumulation in HepG2 cells. Treatment with extracts was associated with a significant reduction in intracellular total lipid and triglyceride levels in a concentration-dependent manner. RT-qPCR results revealed that extract treatment was accompanied by the downregulation of lipogenesis-related genes (SREBP-1c, ACC1, FASN, and DGAT2) and the upregulation of β-oxidation-associated genes (PGC-1α, PPARα, CPT-1A, and ACOX1). Western blot analysis showed that extract treatment was associated with AMPK phosphorylation, occurring concurrently with the observed lipid-associated changes. Furthermore, treatment with extracts was accompanied by decreased expression of miR-122 and miR-21, which correlated with the expression of their respective lipid-metabolism target genes. UPLC-MS/MS analysis identified 39 phenolic compounds in the extract, including methyl brevifolincarboxylate and ellagic acid derivatives, indicating a complex phenolic composition. These results demonstrate that attenuation of lipid accumulation by polyphenol-rich Chinese olive extracts in HepG2 cells is accompanied by AMPK phosphorylation and miRNA modulation. This finding supports the potential of Chinese olive extracts as a natural hepatoprotective ingredient for the development of functional foods and nutraceuticals.

This study aims to develop and validate RP-HPLC method for the estimation of ellagic acid in Acalypha indica extract. The isocratic RP-HPLC method was developed using a C18 column with a mobile phase consisting of methanol and 0.1% orthophosphoric acid (75:25 v/v), operated at a flow rate of 0.9 mL/min. A central composite design was employed for method optimization considering mobile phase composition and flow rate as critical process parameters and retention time and plate count were chosen as the critical analytical attributes. The method was validated for analytical parameters such as linearity, precision, accuracy, specificity, selectivity and the limits of detection (LOD) and quantification (LOQ). The optimized run was validated as per ICH guidelines. A strong linear relationship (R² = 0.9984) was established within the concentration range of 5–25 µg/mL. The method demonstrated excellent reproducibility and recovery evident by %RSD value which was less than 2. The LOD and LOQ were determined to be 0.141 µg/mL and 0.430 µg/mL, respectively. The method exhibited precise, accurate, robust and rugged characteristics as shown by % RSD values which were less than 2. The measured concentration of EA in Acalypha indica L. extracts were found to be 5.5034 µg/mL. The validated RP-HPLC method is sensitive, precise, accurate and robust, making it an effective tool for the reliable quantification of EA in Acalypha indica L. extracts. Hence, it can be concluded that developed method can be used for EA analysis in plant extract as part of quality standardization.

MR1 is an major histocompatibility complex class I-like molecule that presents small molecule metabolites to MR1-restricted T cells that include a major population of highly conserved T cells known as mucosal-associated invariant T (MAIT) cells. MAIT cells recognize bacterial riboflavin pathway-derived neoantigens and are being attributed an increasing number of immune and homeostatic functions. However, the chemical breadth and diversity of MR1-restricted ligands remain to be fully elucidated. Due to the largely (poly)cyclic structure of known MR1 ligands, we aimed to identify MR1 ligands from a library of dietary phenolic metabolites. Competitive MAIT cell inhibition assays using both cell lines and primary cells isolated from human blood identified gut microbial metabolites of ellagitannins that include ellagic acid (EA), urolithin D (UroD), and UroM5 as potential MR1 ligands. Fluorescence polarization binding assays demonstrated that EA, UroM5, UroC, and UroB bound to MR1, and we provide a structural basis for EA presentation by MR1. Overall, our findings indicate that EA metabolism provides dietary MR1 ligands that inhibit T cell receptor-dependent MAIT cell activation.