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Paracetamol overdose causes severe hepatotoxicity. Sonchus oleraceus is traditionally used to treat liver disorders, but its potential against paracetamol-induced liver injury is unexplored. This work aimed to investigate the protective mechanisms of an S. oleraceus extract (SOEtOH) using in vivo, histological and biochemical assessments along with metabolomics profiling and in silico studies, including molecular docking and dynamic simulations (MD). SOEtOH was administered to rats with paracetamol-induced hepatotoxicity at 50, 100, and 200 mg/kg doses. Serum enzymes, hepatic antioxidants, and histopathology were evaluated. UPLC-MS characterized bioactive metabolites and molecular docking and assessed their anti-inflammatory potential. SOEtOH significantly restored serum ALT and AST toward normal levels in a dose-dependent manner. It also replenished depleted hepatic glutathione (up to 3.9-fold) and superoxide dismutase (up to 4.7-fold). Immunohistochemistry revealed SOEtOH progressively attenuated caspase-3 expression related to apoptosis. It also ameliorated characteristic histopathological alterations like necrosis, inflammation, and sinusoidal congestion. Thirty-two bioactive metabolites, including flavonoids, phenolic acids, and terpenes, were identified. Molecular docking revealed potent anti-inflammatory effects via JNK inhibition, with luteolin-O-dihexoside, isorhamnetin-O-hexoside, di-O-caffeoylquinic, and kaempferol-O-hexoside having the strongest binding affinities. MD simulations demonstrated that these compounds' complexes significantly contribute to JNK1 and JNK2's catalytic binding site. This integrated study demonstrates that SOEtOH protects against paracetamol hepatotoxicity by mitigating oxidative stress and inhibiting pro-inflammatory/apoptotic signaling. Our results reveal therapeutic lead compounds that may be further explored for clinical applications.

Background: Plants belonging to the genus Kaempferia (family: Zingiberaceae) are distributed in Asia, especially in the southeast region, and Thailand. They have been widely used in traditional medicines to cure metabolic disorders, inflammation, urinary tract infections, fevers, coughs, hypertension, erectile dysfunction, abdominal and gastrointestinal ailments, asthma, wounds, rheumatism, epilepsy, and skin diseases. Objective: Herein, we reported a comprehensive review, including the traditional applications, biological and pharmacological advances, and phytochemical constituents of Kaempheria species from 1972 up to early 2019. Materials and methods: All the information and reported studies concerning Kaempheria plants were summarized from library and digital databases (e.g., Google Scholar, Sci-finder, PubMed, Springer, Elsevier, MDPI, Web of Science, etc.). The correlation between the Kaempheria species was evaluated via principal component analysis (PCA) and agglomerative hierarchical clustering (AHC), based on the main chemical classes of compounds. Results: Approximately 141 chemical constituents have been isolated and reported from Kaempferia species, such as isopimarane, abietane, labdane and clerodane diterpenoids, flavonoids, phenolic acids, phenyl-heptanoids, curcuminoids, tetrahydropyrano-phenolic, and steroids. A probable biosynthesis pathway for the isopimaradiene skeleton is illustrated. In addition, 15 main documented components of volatile oils of Kaempheria were summarized. Biological activities including anticancer, anti-inflammatory, antimicrobial, anticholinesterase, antioxidant, anti-obesity-induced dermatopathy, wound healing, neuroprotective, anti-allergenic, and anti-nociceptive were demonstrated. Conclusions: Up to date, significant advances in phytochemical and pharmacological studies of different Kaempheria species have been witnessed. So, the traditional uses of these plants have been clarified via modern in vitro and in vivo biological studies. In addition, these traditional uses and reported biological results could be correlated via the chemical characterization of these plants. All these data will support the biologists in the elucidation of the biological mechanisms of these plants.

Nymphaea nouchali is a prevalent water lily well recognized for its dietary and traditional medicinal purposes, attributed to its diverse phytochemical composition. This study is the first to provide a comprehensive metabolite profiling of Egyptian Nymphaea organs viz., flower, leaf, and stem using UHPLC/PDA/ESI-QTOF-MS high-resolution ultra-performance liquid chromatography Electrospray ionization/ photo diode array detector/ Quadrupole time-of-flight mass spectrometry. Alongside the in-vitro antioxidant activities employing different methods viz., DPPH, ATBS, NO scavenging, hydrogen peroxide scavenging, and cholinesterase inhibitory (AChE) activity were investigated. A total of 185 secondary metabolites were annotated belonging to 10 chemical classes viz., phenolic acids, ellagitannins, flavonoids, anthocyanins, alkaloids, amino acids and vitamins, organic acids, fatty acids & amides, lipids and sugars/sugar derivatives. Among them, 72 are newly reported viz., ellagic acid, corilagin, patuletin glycosides, naringenin, eriodictyol glycosides, spermidine alkaloids, and 33 lipids in Egyptian Nymphaea. Flowers recorded the highest antioxidant activities with IC 50 values (45.15 µg/ml) for DPPH, (5.02 µg/ml) for ABTS + , (54.07 µg/ml) for NO, (55.04 µg/ml) for H 2 O 2 assays and (1.85 µg/ml) for AChE inhibition. Flowers demonstrated potential antioxidant activities in correlation to their flavonoids, anthocyanins and alkaloids. Multivariate analysis (MVA), including unsupervised tools like principal component analysis (PCA) & hierarchical cluster analysis (HCA), and supervised orthogonal projections to latent structures discriminant analysis (OPLS-DA) are likewise employed. This research is designed to deal in depth with the chemical profile of the Egyptian water lily and tried to correlate such profile with their corresponding neuroprotective effect. Furthermore, in-vivo biological studies are planned to confirm the active agent post isolation from the active organs following results based on chemometric analysis. As future work, it is highlighted to target the isolation of novel entities.

The growing challenge of drug-resistant pathogens has forced the urgent need for natural and sustainable antimicrobial alternatives. This research explores the green chemistry-based synthesis of zinc oxide quantum dots (ZnO-QDs) employing the ethanolic root extract of Brassica rapa (L.) to assist their formation and stabilization. Characterization of ZnO-QDs confirmed their hexagonal crystalline structure with a nanoscale size (0.8–2.6 nm) and their good stability. GC/MS assay identified β -phenylethyl isothiocyanate and hydroquinone as the main antimicrobial compounds in the essential oil, while LC-ESI-TOF-MS profiling pinpointed the existence of glucosinolates, flavonoids, and phenolic acids as potential active compounds contributing to nanoparticle formation and antimicrobial potential. The combination of B. rapa essential oil and ZnO-QDs exhibited the strongest antibacterial and antifungal activity among the all investigated samples, showing the highest inhibition against Listeria monocytogenes (30.5 mm), Aspergillus niger (20.5 mm), and Fusarium verticillioides (18.2 mm). Molecular docking revealed powerful binding affinities of key phytochemicals to fungal sterol demethylase CYP51B and bacterial DNA gyrase 2, reinforcing their antimicrobial activity. The study’s outcomes reveal that B. rapa -derived ZnO-QDs could be a novel, eco-friendly antimicrobial agent for controlling food spoilage bacteria and mycotoxigenic fungi in food products. Future research should focus on in-vivo efficacy and biocompatibility to fully utilize their potential in food preservation, the pharmaceutical industry, and biomedicine.

Acacia nilotica (synonym: Vachellia nilotica (L.) P.J.H.Hurter and Mabb.) is considered an important plant of the family Fabaceae that is used in traditional medicine in many countries all over the world. In this work, the antiviral potentialities of the chemically characterized essential oils (EOs) obtained from the bark and fruits of A. nilotica were assessed in vitro against HAV, HSV1, and HSV2. Additionally, the in silico evaluation of the main compounds in both EOs was carried out against the two proteins, 3C protease of HAV and thymidine kinase (TK) of HSV. The chemical profiling of the bark EOs revealed the identification of 32 compounds with an abundance of di- (54.60%) and sesquiterpenes (39.81%). Stachene (48.34%), caryophyllene oxide (19.11%), and spathulenol (4.74%) represented the main identified constituents of bark EO. However, 26 components from fruit EO were assigned, with the majority of mono- (63.32%) and sesquiterpenes (34.91%), where trans-caryophyllene (36.95%), Z-anethole (22.87%), and γ-terpinene (7.35%) represented the majors. The maximum non-toxic concentration (MNTC) of the bark and fruits EOs was found at 500 and 1000 µg/mL, respectively. Using the MTT assay, the bark EO exhibited moderate antiviral activity with effects of 47.26% and 35.98% and a selectivity index (SI) of 2.3 and 1.6 against HAV and HSV1, respectively. However, weak activity was observed via the fruits EO with respective SI values of 3.8, 5.7, and 1.6 against HAV, HSV1, and HSV2. The in silico results exhibited that caryophyllene oxide and spathulenol (the main bark EO constituents) showed the best affinities (ΔG = −5.62, −5.33, −6.90, and −6.76 kcal/mol) for 3C protease and TK, respectively. While caryophyllene (the major fruit EO component) revealed promising binding capabilities against both proteins (ΔG = −5.31, −6.58 kcal/mol, respectively). The molecular dynamics simulation results revealed that caryophyllene oxide has the most positive van der Waals energy interaction with 3C protease and TK with significant binding free energies. Although these findings supported the antiviral potentialities of the EOs, especially bark EO, the in vivo assessment should be tested in the intraoral examination for these EOs and/or their main constituents.

This study aimed to synthesize zinc oxide nanoparticles (ZnO-NPs) via a green sustainable approach using Raphanus sativus (L.) root extract and evaluate their gastroprotective effect against ethanol-induced gastric injury in rats. ZnO-NPs were characterized through UV–Vis spectroscopy, FT-IR, TEM, zeta potential analysis, and XRD. LC- MS-coupled metabolic profiling was employed to identify different phytochemical compounds in the plant. Oxidative stress biomarkers (GSSG, GPX, and CAT), gastric secretions (gastrin and histamine), inflammatory cytokines (TNF-α and NF-κB), and molecular markers (MMP-10 and pERK1/2) were evaluated. Treatment with ZnO-NPs and plant extract restored antioxidant enzyme activity in a dose-dependent manner and decreased oxidative and inflammatory markers. Histopathological and histochemical analyses confirmed the protection of the gastric mucosa. The ZnO-NPs at (200 mg/kg), showed superior efficacy over the extract and, in some cases, displayed equivalent or enhanced effects relative to the reference drug omeprazole. In silico findings support the gastroprotective potential of the plant by demonstrating strong binding associations for major phytochemicals. This paper highlights that green-synthesized ZnO-NPs exhibit a significant gastroprotective effect through the modulation of oxidative stress and inflammatory pathways, indicating their promise as a safe and effective alternative treatment for gastric ulcers.

Essential oils (EOs) are advised by traditional medical systems for the treatment of a variety of disorders worldwide. In many ancient medical systems around the world, Polygonum herbs have been employed as remedies including P. equisetiforme Sm. The EO profile of P. equisetiforme and its bioactivities have yet to be discussed in depth. As a result, the current study aims to investigate the chemical profile and free radical scavenging capacity of P. equisetiforme EO. Hydrodistillation was used to obtain the EO from P. equisetiforme, and gas chromatography–mass spectrometry (GC-MS) was used for analysis. A total of forty-three compounds, including terpenes and sesquiterpenes as the main components (76.13% and 69.06%, respectively), were identified in the oil using the GC-MS analysis. The main constituents of the oil were hexahydrofarnesyl acetone (29.45%), 7-epi-selinene (14.45%), isospathulenol (8.35%), and n-docosane (6.79%). The chemosystematic significance of the plant was established via multivariate assessing, comprising principal component analysis (PCA), hierarchical clustering, and constellation plot, of the EO principal components of the various Polygonum plants. The P. equisetiforme exhibited different associations with the studied Polygonum spp. Then, the scavenging of the free radicals 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) was used to evaluate the radical scavenging abilities of EO compared with those of vitamin C, a reference antioxidant. P. equisetiforme EO exhibited the scavenging capacity of the DPPH and the ABTS free radical with respective IC50 values of 470.01 and 113.74 mg L−1 compared with vitamin C, and with IC50 values of 39.06 and 26.09 mg L−1, respectively. The in silico studies revealed that the oxygenated sesquiterpenes, especially ar-turmerone, hexahydrofarnesyl acetone, and 5E,9E-farnesyl acetone, exhibited the best fitting with hematopoietic cell kinase (Hck) and human Peroxiredoxin 5 proteins with ΔG values of −6.14 and −4.93, −6.83 and −5.34, and −7.08 and −5.47 kcal/mol, respectively. The major components’ combined or individual effects may be responsible for the antioxidant properties. Therefore, additional extensive studies are advised to characterize the essential compounds as radical scavenger agents, either individually or in combination.

Objectives This study investigated the neuroprotective effect of ferulic acid (FA) against bisphenol A (BPA) induced Alzheimer’s disease-like pathology in male rats. Methods Rats were allocated into four groups, control, BPA, BPA + FA, and FA, respectively, for 40 days. Spatial working memory and recognition memory were evaluated. Moreover, the brain levels of oxidative stress biomarkers, proinflammatory cytokines, extracellular signal-regulated kinase (ERK), and phosphorylated serine/threonine protein kinase (p-Akt) were measured. We also determined the brain neuropathological protein levels, including Beta-Amyloid 1–42, total Tau (tTau), and phosphorylated Tau (pTau) proteins. Furthermore, brain levels of Acetylcholinesterase (AChE) and Beta-secretase (BACE) were assessed. Brain histological investigation and immunohistochemistry determination of glial fibrillar acidic protein (GFAP) were also performed. Moreover, docking simulation was adapted to understand the inhibitory role of FA on AChE, BACE-1, and ERK1/2. Results Interestingly, the BPA + FA treated group showed a reversal in the cognitive impairments induced by BPA, which was associated with improved brain redox status. They also exhibited a significant decrease in brain inflammatory cytokines, ERK, and p-Akt levels. Moreover, they revealed a decline in beta-amyloid 1–42 and a significant improvement in tTau expression and pTau protein levels in the brain tissue. Further, the brain levels of AChE and BACE were substantially reduced in BPA + FA rats. The neuroprotective effect of FA was confirmed by restoring the normal architecture of brain tissue, which was associated with decreasing GFAP. Conclusion FA could be a potent neuroprotectant agent against AD with a possible prospect for its therapeutic capabilities and nutritional supplement value due to its antioxidant and antiapoptotic properties.

Acylated flavonoids are widely distributed natural dietary bioactives with several health attributes. A large diversity of acylated flavonoids with interesting biological potentialities were reported. Of these, 123 compounds with potential antimicrobial, antiparasitic, anti-inflammatory, anti-nociceptive, analgesic and anti-complementary effects were selected from several databases. Based upon these data, the possible mechanistic evidence for their effects were reported. Generally, aromatic acyls i.e., galloyl derivatives appeared to improve efficacy through enhancement of the binding affinities to molecular targets due to plenty of donating and accepting centers. Docking simulations conducted by Molecular Operating Environment (MOE) of acylated flavonoids revealed that compound 12 is at the top of the list into the antibacterial target DNA gyrase subunit B (GyrB), from E. coli , followed by compounds 10 , 4 and 23 . Compounds 81, 88, 96, 92, 99, 100, 102 and 103 have the strongest binding affinities into Human matrix metallopeptidase (MMP) 2 and 9 catalytic domains. Compound 103 exerted the most balanced predicted dual MMP-2/MMP-9 inhibition action. Compound 95 recorded the strongest binding affinity into metabotropic glutamate receptor (mglur1) with the lowest energy conformer. The data presented in this review suggests that these candidate acylated flavonoids ought to be considered in future drug developments especially as anti-inflammatory and antimicrobial agents.

Alzheimer’s disease (AD) is a widespread condition that affects adults and the community considerably. The causes are yet unknown, except from advanced age and genetic predisposition. Natural products provided advantageous advantages for managing AD due to their efficacy, safety, and accessibility. The memory boosting effects of chemically characterized Ipomoea carnea ethanol extract (IPC-EtOH) on behavioral, biochemical, histological, and molecular levels against cognitive impairment induced by AlCl 3 exposure in rats were assessed using donepezil as a reference drug. Behavioral tests (spontaneous alternation T-maze and open field test) and assays for GSK3β, CREB, FOXO1a, β-secretase, tau, oxidative stress biomarkers, histopathology, and immunohistochemistry for cyclooxygenase 2 (COX-2) were conducted. The chemical profiling of IPC-EtOH using UPLC-ESI–qTOF-MS coupled with molecular networking revealed the identification of 83 bioactive metabolites, including pyrrolizidine alkaloids and cinnamic acid derivatives which previously undescribed from this species. AlCl 3 injection significantly elevated tau, β -secretase, GSSG, GSK-3 β , and FOXO3a levels and down regulated CAT, SOD, and CREB, with strong COX-2 immunoexpression in the cortex and hippocampus compared to controls. Oral co-administration of donepezil or IPC-EtOH to AlCl 3 -treated rats restored near-normal function in these brain regions, significantly attenuating spatial learning, memory, and locomotor impairments. These results suggest that IPC-EtOH could be a promising therapy for mitigating aluminum-induced neurotoxicity, though further studies are needed to elucidate its precise mechanisms of action. These outcomes emphasize I. carnea ethanol extract’s potential as an appealing therapy for AD by demonstrating its neuroprotective and memory-enhancing properties in rats having AlCl 3 -induced memory impairment.