Medicinal plants are an important source of bioactive secondary metabolites that are responsible for the development of new drugs. The main aim of this study was to explore Pistacia integerrima J. L. Stewart ex Brandis phytochemically and biologically explore P. integerrima. The defatted methanolic extract of P. integerrima galls was subjected to column chromatography, which yielded six flavonoids including 3,5,7,4/-tetrahydroxy-flavanone (1), naringenin (2), 3,5,4/-trihydroxy,7-methoxy-flavanone (3), sakuranetin (4), spinacetin (5), and patuletin (6). The defatted extract and the isolated compound (1–6) were assessed for in- vitro xanthine oxidase (XO). The samples to be tested were applied at a concentration of 0.5 mM and demonstrated a variable degree of XO inhibitory potential. The maximum inhibitory effect was observed for compound 6 (93.09

The present study examined the modulatory effects of Ocimum gratissimum leaf flavonoid-rich extracts on the Nrf-2 and HO-1 pathways in the livers of streptozotocin-induced diabetic rats. The animals were divided into five groups (n = 8). These included a normal control, a diabetic control, diabetic rats administered low (LDOGFL) or high (HDOGFL) doses of Ocimum gratissimum leaf flavonoid-rich extracts at 150 and 300 mg/kg, respectively, and diabetic rats administered 200 mg/kg metformin. The animals were sacrificed on the 22nd day of the study, the liver was excised, and different biochemical parameters were evaluated. At the end of this study, diabetic rats administered LDOGFL and HDOGFL presented significant (p < 0.05) decreases in fragmented DNA, protein carbonyl and lipid peroxidation levels, as well as glucose-6-phosphatase, and fructose 1,6 bisphosphatase activities. However, there was a significant (p < 0.05) increase in the levels of antioxidant biomarkers; phosphatase and transaminase activities; GLUT 2 and glycogen levels; glycogen synthase and phosphorylase; hexokinase, pyruvate kinase and glucose-6-phosphate dehydrogenase activities; and serum albumin and insulin in diabetic rats treated with extracts. Furthermore, there was a substantial increase in the relative gene expression of Nrf2 and HO-1, especially in diabetic rats administered LDOGFL. Hence, these findings suggest that these extracts might be helpful in managing hepatopathy in patients with diabetes mellitus.

The Euphorbiaceae family Euphorbia pulcherrima is well known for its anticancer properties. The research examines the roles of two flavonoids found in E. pulcherrima in the inhibition of thymidine phosphorylase (TP), an enzyme in cancer development, metastasis, and chemotherapy resistance. This study was designed to evaluate the in vitro TP inhibitory activity of two flavonoids isolated from E. pulcherrima and to investigate their potential binding modes and interactions with TP using molecular docking analysis. In the current studies, the chemical constituents of E. pulcherrima were isolated and characterized. Both of the constituents were flavonoids, namely—5,7,8,3′,4′-pentahydroxy-3-methoxyflavone (Flavonoid 1) and kaempferol-3-β-D-glucopyranosyl (Flavonoid 2). Both of the flavonoids were evaluated spectrophotometrically for TP inhibitory activity as compared to the 7-deazaxanthine, and the IC50 values were determined. Molecular docking was performed to explore the protein–ligand interactions at the TP active site. Both the flavonoids significantly antagonized TP. The maximum inhibitory effect of flavonoid 1 was 83.60

Natural products have crucial relevance both in traditional medicine as well as in modern drug discovery. Indeed, they inspire currently developed drugs, emphasizing the importance of biodiversity and sustainability. Alzheimer’s disease (AD), a complex neurodegenerative disorder marked by amyloid plaques and neurofibrillary tangles, involves dysregulation of molecular pathways including increased cholinesterases and monoamine oxidase-B (MAO-B) activities, with enzyme inhibition remaining a key therapeutic strategy. This study investigates pistagremic acid, a triterpene from Pistacia chinensis subsp. integerrima and its inhibitory effects on such crucial enzymes implicated in AD. The compound showed moderate inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) in vitro with selectivity for AChE, while a potent inhibition of MAO-B was noted, indicating potential neuroprotective effects by reducing oxidative stress. Molecular docking showed interactions with key enzyme residues, and off targets were studied with a ligand-based approach. The findings support its multi-target therapeutic potential, but also prompt future studies exploring selectivity profile.

Background: Moxifloxacin and linezolid are key antibiotics used for multidrug-resistant tuberculosis (MDRTB) and other infections, including those caused by gram-positive bacteria like Mycobacterium tuberculosis and Methicillin-Resistant Staphylococcus Aureus (MRSA). Accurate and simultaneous quantification of these antibiotics in human plasma is essential for therapeutic drug monitoring and pharmacokinetic studies. The existing methods often focus on single drugs or require expensive Liquid Chromatography-Mass Spectrometry (LC-MS/MS) unavailable in resource limited settings like Pakistan. Methods: An isocratic HPLC-UV method was developed using an Agilent 1100 system with a C18 column (250 & times; 4.6 mm), mobile phase of 0.1% formic acid:acetonitrile (75:25 v/v) at 1 mL min (-1) , and detection at 292 nm (moxifloxacin) and 262 nm (linezolid). Sample preparation was done through protein precipitation with acetonitrile and liquid-liquid extraction. The method was validated following European Medicines Agency (EMA) guidelines for selectivity, linearity, within-run and between-run accuracy and precision, and stability at room temperature, freeze-thaw and long-term stability for 6 months. Results: The method was selective for moxifloxacin and linezolid with no interfering peaks at retention times (4.4 min for moxifloxacin, 9 min for linezolid). The method was linear with r (2) >= 0.999 over the concentration range of moxifloxacin (0.2-12 mg L (-1) ) and linezolid (0.5-30 mg L (-1) ). The lower limit of quantification for moxifloxacin was 0.2 mg L (-1) and for linezolid was 0.5 mg L (-1) as determined by back calculation. The mean percentage relative recovery for accuracy was 91.6-111.8% for moxifloxacin and 88-97.9% for linezolid while RSD% for precision was <= 13.7% for moxifloxacin and <= 12.4% for linezolid. Both analytes remained stable at room temperature for 24 h, after four freeze and thaw cycles and also after storage at -20 degrees C for 6 months. Conclusion: This validated, cost-effective HPLC-UV method enables reliable simultaneous quantification of moxifloxacin and linezolid in plasma, supporting pharmacokinetic research within resource constrained settings like Pakistan.

This review summarizes recent advances in the application of titanium dioxide nanoparticles (TiO2 NPs) for postharvest fruit preservation, with emphasis on their antimicrobial activity and photocatalytic degradation of ethylene. TiO2 NPs have been applied through direct treatment, edible coatings, and packaging films, effectively delaying ripening, reducing weight loss, maintaining firmness, and preserving bioactive compounds. Their preservation performance is influenced by ROS generation, crystalline form, particle size, dispersion state, and interactions with carrier matrices. Modification strategies, such as metal or non-metal doping and hybrid nanocomposites, enhance photocatalytic efficiency and broaden application conditions. Compared with conventional methods, TiO2-based systems exhibit multifunctional effects by combining ethylene scavenging, antimicrobial action, and quality maintenance. Nevertheless, challenges remain, including UV dependence, nanoparticle aggregation, and potential migration or toxicity. Distinct from previous reviews on TiO2 in packaging, coatings, or photocatalysis, this work specifically focuses on their role in postharvest fruit preservation.

Petroleum-based plastic packaging poses risks to food safety and the environment, driving the shift to biodegradable biopolymers—yet their poor mechanical/barrier properties limit application. Ascorbic acid (AA), a natural, safe, and low-cost additive, emerges as a multifunctional solution for biopolymer-based food packaging. This review summarizes AA's roles: as an antioxidant to inhibit lipid oxidation and browning; a cross-linker/plasticizer to enhance film mechanical strength and flexibility; an oxygen scavenger to reduce food oxidation; and a reducing agent for green nanoparticle synthesis. Encapsulation (e.g., microcapsules, cyclodextrin inclusion) improves AA stability and enables controlled release. The functionalisation of films and coatings with AA has been demonstrated to enhance the overall performance of biopolymer-based materials, including a reduction in water vapor permeability and an enhancement in mechanical properties. Furthermore, such systems demonstrate considerable potential for application in various food preservation contexts; for example, they can delay the spoilage process in fruits and vegetables, inhibit the accumulation of volatile basic nitrogen in meat products, and slow down lipid oxidation in nut-based foods, thereby effectively extending their shelf life. Challenges include AA's sensitivity to heat/oxygen, which requires optimized delivery systems. AA bridges biopolymer performance gaps and aligns with sustainable packaging goals, offering industrial potential for eco-friendly food packaging.

Food-borne pathogens, such as Escherichia coli O157:H7, pose a major threat to food safety and public health. Innovative strategies are urgently needed to enhance the antimicrobial efficacy of perishable products and extend their shelf life. Herein, citral silk fibroin nanoparticles (CL/SFNPs) were synthesized and integrated into fucoidan/sodium alginate films to obtain dual-function composite films with pathogen attraction and stimulus-responsive release of antibacterial components. The synthesized CL/SFNPs had a size of 255.64 +/- 2.96 nm, an encapsulation efficiency of 68.51% for citral and good stability. The nanoparticles produced responsive citral release under the stimulation of serine protease hydrolysis activity secreted by Escherichia coli O157:H7, with an antibacterial rate of up to 99.99%. l-Fucose in the composite film endowed the film system with chemoattractant activity against E. coli O157:H7, further accelerated the release of citral and quickly formed an antibacterial effect. In addition, the composite film also possessed good barrier properties and mechanical strength. The results of the applied study showed that the composite film reduced the number of bacteria on the surface of fresh beef by 95.02%, significantly delayed lipid oxidation and maintained the pH value, colour stability and texture of beef during a 5-day storage period. This study highlights the potential of bioresponsive nanocomposite films as active packaging in ensuring food safety and quality.

Silk sericin, a hydrophilic protein derived from Bombyx mori cocoons, has attracted increasing interest due to its antioxidant, moisturizing, and enzyme-inhibitory properties. Efficient extraction is essential to preserve its biofunctional potential. In this study, sericin was extracted using hot water and 1.25

The development of potent dipeptidyl peptidase-4 (DPP4) inhibitors remains a promising therapeutic strategy for the management of type 2 diabetes mellitus (T2DM). In the present study, an integrated computational workflow incorporating machine learning-based quantitative structure-activity relationship (QSAR) modeling, ligand-based virtual screening, molecular docking, molecular dynamics (MD) simulations, and binding free energy calculations was employed to identify novel DPP4 inhibitors. A curated dataset of experimentally validated DPP4 inhibitors was obtained from the ChEMBL database and subjected to systematic preprocessing and molecular descriptor generation. Several machine learning regression algorithms were initially evaluated to identify the most suitable predictive models. The best-performing tree-based algorithms were subsequently optimized and combined using Ridge Stacking and Weighted Average ensemble strategies. Among the developed models, the optimized Ridge Stacking ensemble demonstrated the highest predictive performance, achieving an R 2 of 0.746, an RMSE of 0.819, and a Pearson correlation coefficient of 0.864, indicating strong predictive accuracy and good generalization capability. The robustness of the model was further confirmed through 10-fold cross-validation, bootstrap validation, residual analysis, and applicability domain assessment. The validated ensemble model was then used to screen 95 compounds identified through ligand-based virtual screening. Among these candidates, CP20 exhibited the highest predicted pIC 50 value and was selected for further evaluation together with the reference inhibitor omarigliptin. Molecular docking, structural interaction fingerprinting, molecular dynamics simulations, and MM/GBSA and MM/PBSA binding free energy analyses demonstrated that CP20 formed stable interactions with key catalytic residues of DPP4 and maintained favorable conformational stability throughout the simulation. Collectively, these findings identify CP20 as a promising lead scaffold for the development of novel DPP4 inhibitors and demonstrate the effectiveness of an ensemble machine learning-guided computational framework for accelerating antidiabetic drug discovery. Experimental validation is warranted to confirm its biological activity and therapeutic potential.

Dasatinib, a therapy for chronic myeloid leukemia, suffers from poor bioavailability. Self-microemulsifying drug delivery systems (SMEDDSs) are used to improve its dissolution. This study aimed to develop and validate a novel reverse-phase high-performance liquid chromatography (RP-HPLC) method for quantifying dasatinib in SMEDDS formulations. The RP-HPLC method utilized a mobile phase of methanol and 0.1% trifluoroacetic acid (55:45, v/v) and identified a peak wavelength for dasatinib at 324 nm. SMEDDS formulations comprised Capryol 90, Transcutol HP, and Tween 40. The method was validated according to ICH guidelines, demonstrating excellent linearity (R 2 = 0.9993), accuracy (recovery between 98% and 101%), and precision (relative standard deviation of 0.73%). It also showed stability and reliability with limits of detection and quantification of 0.17 and 0.50 µg/mL, respectively. This RP-HPLC method meets all validation criteria and provides a robust, cost-effective tool for analyzing dasatinib in SMEDDS formulations.

For decades, the food industry has sought alternatives to synthetic chemical preservatives to extend shelf life and maintain product quality; however, conventional preservatives may pose health risks, making natural and safe preservation systems a major research focus. Tea tree essential oil, a widely available plant-derived essential oil, exhibits strong antibacterial, antifungal, and antioxidant activities and is regarded as a promising natural food preservative. This work systematically reviews recent advances in its application to food preservation, covering extraction methods, chemical composition, antioxidant and antimicrobial properties, and its practical applications. The evidence indicates that, beyond direct incorporation into foods, tea tree essential oil can be formulated within encapsulation and delivery systems to overcome limitations such as volatility, strong hydrophobicity, and intense flavour, including nanoemulsions, composite microcapsule particles, and biopolymer-based films/coatings, which have demonstrated superior preservation performance in fruits and vegetables, meat products, and aquatic foods compared with conventional approaches.

Natural products and their secondary metabolites have long been known as good bioresources in the synthesis of nanomaterials. In this paper, IONPs were synthesized by an eco-friendly method using the aqueous extract of Eucalyptus camaldulensis and evaluated for their physicochemical properties, enzyme inhibitory activity, pharmacological potential, and molecular docking. The synthesized IONPs were subsequently characterized by UV-Vis, FTIR, and SEM techniques to determine the functional groups and surface morphology. In addition to that, the synthesized IONPs were also tested in terms of in vitro (urease, carbonic anhydrase II, and xanthine oxidase inhibition) and in vivo (analgesic and sedative) activity. The prepared IONPs demonstrate effective enzyme inhibitory activity (95.49% urease, 72.23% CA-II, 86.03% XO) and dose-dependent sedative and anti-writhing effects. However, direct comparison with the crude extract on a mg/kg basis is limited by differences in phytochemical content between the two formulations. Quercetin, a flavonoid previously reported in E. camaldulensis, was used as a representative ligand for molecular docking, while a simplified iron-based cluster model was used to explore possible interactions of the nanoparticle surface with target enzymes. Thus, these results suggest that E. camaldulensis-mediated IONPs possess promising enzyme inhibitory and sedative properties, but further physicochemical, kinetic, mechanistic, toxicity, and biophysical validation studies are required.

This novel study investigates the bioactive compounds in the roots of Aporosa cardiosperma (Gaertn.) MerrA. cardiosperma, a tree with significant use in traditional Asian medicine. Through a comprehensive chromatographic approach, including TLC, HPTLC, GC-MS, and LC-MS, this research offers new insights into the plant's bioactive profile. Sequential extraction with solvents of varying polarity was followed by phytochemical screening and quantification of flavonoids and phenolic compounds. The results revealed a diverse range of bioactive components, including flavonoids, terpenoids, phenols, and steroids, with the highest concentrations found in methanolic and ethanolic extracts. Notably, the ethanolic extract contained 7.0 ± 0.03 mg of phenolics and 30.1 ± 0.04 mg of flavonoids. The GC-MS identified 31 compounds, and LC-MS detected 15, including phyllanthacidoid methyl ester, beta-sitosterol, gallic acid, rutin, ellagic acid, and chlorogenic acid. This groundbreaking research highlights A. cardiosperma's therapeutic potential and paves the way for its future application in modern medicine.

The purpose of this study was to assess the ethanolic extract of Desmostachya bipinnata (EEDBR)'s sedative and antidepressant properties in Swiss albino mice. The extract was given to Swiss albino mice in single doses of 100, 200 and 400mg/kg of body weight for different biological tests. In the open field test, the diazepam group and the 400mg/kg dosage group spent more time in the centre zone than the control group. The 400mg/kg dosage and diazepam group had no discernible effect on centre time response. Additionally, a dosage of 100mg/kg exhibits a significant impact of 44±3.60. Compared to treated with EEDBR, those given with standard control Diazepam (1mg/kg) had higher head dips. At all dosages, there was a substantial decrease in locomotor activity in HCT as compared to the control group at all time intervals (between 30 and 120 minutes). Diazepam, the positive control, significantly lowers locomotor activity. EEDBR reduced sadness and anxiety in a dose-dependent way. Higher dosages of EEDBR result in noticeably stronger antidepressant effects, indicating a dose-dependent connection. For the molecules isopulegone, geranyl isovalerate and eucalyptol, the in-silico docking scores for Cyclooxygenase-1 and Cyclooxygenase-2 are -8.2, -6.2, -8.4 and -8.9, -7.2, -7.6 respectively.

Lentinus edodes is widely cultivated and utilized globally, and Lentinus edodes polysaccharides (LEPs) are recognized as its primary bioactive components. However, the influence of regional variations LEPs has not yet been elucidated. This study aimed to investigate the differences in the and activity of LEPs from various sources following simulated in vitro digestion, as well as their impact on gut microbes. Our work demonstrated that while the three LEPs were partially digested during digestion progress, yet their structural integrity remained largely unchanged. These LEPs exhibited variations in the monosaccharide molar ratios and molecular weights (Mw), which contributed to differences in their biological activities. Furthermore, the three LEPs were found to promote the growth of Megasphaera and Bacteroides and enhance the production of short-chain fatty acids (SCFAs). Finally, we investigated the correlations between monosaccharide composition, SCFAs, and the growth of gut microbes. Taken together, these results provide important insights into the regional characteristics of LEPs, supporting their personalized application in various contexts.

Gastroesophageal reflux disease (GERD) manifests in distinct phenotypes, including erosive reflux disease (ERD) and nonerosive reflux disease (NERD), which exhibit differences in pathophysiology and clinical outcomes. This study aims to explore microbial differences across these phenotypes. RNA sequencing data of 69 esophageal samples from reflux esophagitis (RE) and NERD patients were retrieved from NCBI SRA to identify key microbial taxa. Alpha and beta diversity analyses were conducted, and DESeq2 and Lefse analyses were used to identify bacterial biomarkers to differentiate ER from NERD. Five dominant phyla were identified, namely, Actinomycetota, Bacillota, Fusobacteriota, Pseudomonadota and Thermodesulfobacteriota. Genera such as Streptococcus, Fusobacterium and Phyllobacterium were abundant across the samples. Alpha diversity analysis revealed significant differences at the phylum, genus and species levels, with notable findings for Shannon, Chao1 and Simpson indices. Beta diversity analysis revealed significant differences in the microbial composition between ER and NERD at all taxonomic levels ([Formula: see text] < 0.001). DESeq2 analysis identified four phyla, 13 genera and 12 species with differential abundances between ER and NERD. Thermodesulfobacteriota and Actinomycetota were more abundant in NERD, whereas Pseudomonadota and Bacteroidota were higher in ER. At the species level, Acinetobacter baumannii and Escherichia coli were enriched in NERD, whereas Streptococcus mitis and Pseudoxanthomonas mexicana were elevated in ER. Lefse analysis identified potential bacterial biomarkers, with Thermodesulfobacteriota and Desulfomicrobium being significantly associated with NERD, whereas Fusobacteriota was linked to ER. Significant microbial differences were observed between ER and NERD, with distinct bacterial biomarkers identified. These findings suggest that the esophageal microbiota may play a role in the pathogenesis of reflux diseases, offering potential diagnostic and therapeutic targets. Further clinical research is needed to confirm these results and explore their clinical implications.

In this study, dichloromethane (DD-D) and methanolic (DD-M) extracts of Dracaena deremensis were comprehensively investigated for their phytochemical composition, antioxidant, antimicrobial, enzyme inhibition and computational properties. Preliminary phytochemical screening revealed the presence of various secondary metabolites, including alkaloids, flavonoids, phenols, steroids, cardiac glycosides and quinones. Quantitative analysis showed higher alkaloid content in both extracts, with DD-M (8.66 mg AE/g) slightly outperforming DD-D (7.61 mg AE/g). GC-MS profiling identified 54 compounds in DD-M and 48 in DD-D, representing diverse phytochemical classes. Both extracts exhibited strong antioxidant activity (DPPH, TAC, FRAP and NO assays) and notable antimicrobial effects against E. coli, S. typhi, K. pneumoniae, S. aureus and S. cerevisiae. Significant enzyme inhibition was observed against alpha -glucosidase and tyrosinase, with moderate effects on AchE, BchE and LOX. Four key compounds, i.e. DC13, DC14, DC8 and MT16 demonstrated strong binding affinities in molecular docking simulations, supported by DFT-based HOMO-LUMO analysis and molecular dynamics studies, which confirmed stable binding conformations and favorable energetics. These results underscore D. deremensis as a promising source of multifunctional bioactive compounds, with potential applications in managing oxidative stress, microbial infections, neurodegeneration and metabolic disorders.

This study investigates the potential of Fernandoa adenophylla, a South American plant, as a reservoir of compounds with thymidine phosphorylase (TP) inhibitory activity. Through a comprehensive approach combining in vitro assays and molecular docking analysis, we isolated and characterized bioactive compounds from F. adenophylla, including lapachol, alpha-lapachone, Peshawaraquinone, dehydro-α-lapachone, and indanone derivative (Methyl-1,2-dihydroxy-2-(3-methylbut-2-en-1-yl)-3-oxo-2,3-dihydro-1H-indene-1carboxylate). Our results reveal substantial TP inhibition by these compounds, with Lapachol (1) and Indanone derivative (5) demonstrating notable potency, exhibiting IC50 values of 2.3 ± 0.1 and 1.8 ± 0.5 µM, respectively. Molecular docking analysis supported experimental in-vitro results, revealing strong binding affinities of the tested compounds toward both human TP and Escherichia coli TP, with the indanone derivatives exhibiting the most favorable binding energies (-7.50 and -7.80 kcal/mol, respectively). Key interactions with important catalytic residues were identified, highlighting these natural products' structural complementarity and binding stability. These docking results correlate well with the observed in vitro inhibitory activities, reinforcing the compounds' therapeutic relevance. This study underscores the therapeutic potential of F. adenophylla-derived compounds as effective TP inhibitors, highlighting the significance of natural products in drug discovery.

AIMS:Escherichia coli is a key pathogen causing gastrointestinal and urinary tract infections. Diarrheagenic E. coli (DEC) and uropathogenic E. coli (UPEC) are distinct major pathotypes linked to specific clinical outcomes. Therefore, this study aimed to compare DEC and UPEC isolates regarding distribution, antimicrobial resistance, serotypes, resistance, and virulence gene profiles. MATERIALS AND METHODS:A total of 400 clinical samples (200 stools and 200 urine) were analyzed using phenotypic and genotypic methods. Antimicrobial resistance, serotyping, and detection of resistance and virulence genes were performed. Phylogenetic and correlation analyses were conducted to explore genetic relationships and interactions. RESULTS:Of 97 E. coli isolates (24.25% prevalence), 56 DEC and 41 UPEC were detected. DEC isolates primarily included serotypes O26, O45, and O55, while UPEC predominantly featured O1 and O25. UPEC showed higher multidrug resistance, while DEC was more virulent. UPEC carried unique markers (ureC, papC), and DEC harbored stx and aggR genes associated with gastrointestinal infections. Phylogenetic analysis showed separate clustering for DEC and UPEC, with limited genetic overlap. Correlation analysis identified strong associations within resistance and virulence genes but a negative correlation between these traits. CONCLUSION:This study compared the phenotypic and genetic features of DEC and UPEC, highlighting their distinct pathogenic traits. Limited genetic overlap suggests potential gene transfer, influencing adaptability, and evolution.