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Seven undescribed diarylheptanoid derivatives, alpinins A - G (1-7), together with nine known ones (8-16), were isolated and identified from the rhizomes of Alpinia officinarum Hance. Architecturally, compounds 1-4 represent four unusual dimeric diarylheptanoids featuring distinct linkage patterns, while compounds 5 and 6 are newly identified adducts consisting of diarylheptanoid motifs with a sesquiterpene and a monoterpene unit, respectively. The structures and absolute configurations of these compounds were elucidated by comprehensive spectroscopic data, DFT-based DP4+ analysis, as well as electronic circular dichroism (ECD) calculations. Additionally, the α-synuclein aggregation inhibitory activities of these isolates were evaluated using native mass spectrometry and fluorescence-based assays. Among them, compounds 7, 10, 12, and 13 exhibited significant inhibitory effects on α-synuclein aggregation and showed potent neuroprotective activities against α-synuclein aggregate-induced cytotoxicity in SH-SY5Y cells.

The therapeutic potential of Olea europaea L. leaf in hepatitis is recognized, yet its active constituents against metabolic dysfunction-associated steatohepatitis (MASH), a specific form of hepatitis driven by metabolic disturbances, remain poorly defined. This study integrated HPLC fingerprinting of Olea europaea L. leaf extracts (OLE) with chemometrics and bioactivity profiling to identify anti-MASH components. Bioactivity was assessed using a palmitic acid-induced steatohepatitis model in L02 cells. Spectrum-effect relationships derived from pearson correlation and partial least squares regression highlighted four putative active compounds, designated P7, P8, P10, and P11. HPLC-MS identified these as cynaroside (P7), apigenin-7-O-glucoside (P8), oleuroside (P10), and ligustroside (P11). Subsequent in vitro and in vivo evaluations in a zebrafish MASH model confirmed that P7, P8, and P10 exhibited significant anti-MASH activity. Notably, a robust synergism was observed between cynaroside and oleuroside, which their 1:1 M combination yielded a ZIP synergy score of 11.965 and a combination index (CI) of 0.3151, indicating strong synergy at lower doses. These results identify key anti-MASH constituents in OLE and provide a mechanistic basis for using multi-component OLE, highlighting a synergistic approach for MASH management.

In this study, a series of N-9 substituted β-carboline derivatives were designed, synthesized, and further evaluated for their anti-tumor activity through an integrated approach combining network pharmacology, chemical synthesis, in vitro pharmacological assays, and molecular docking. Furthermore, the underlying mechanism of action was elucidated. Firstly, 33 kinds of β-carboline alkaloids in Picrasma quassioides were screened by TCMSP, HERB and other databases. 493 potential anti-tumor targets were obtained by target prediction and intersection analysis. Combined with GO and KEGG enrichment analysis, MAPK and NF-κB signaling pathways were determined as the core research directions. Ten β-carboline N-9 substituted derivatives were successfully synthesized from L-tryptophan by Pictet-Spengler reaction, oxidative cyclization and amide condensation reaction. The yields were 55.29% ~ 77.39%. The results showed that compound 4 had significant anticancer activity in vitro, and its mechanism was related to the targeted regulation of MAPK and NF-κB signaling pathways. It can block the activation of NF-κB and ERK 1/2 signaling pathways by down-regulating the expression of p-p65 and p-ERK 1/2 proteins. Molecular docking results showed that compound 4 could form a stable binding conformation with p65, ERK 1 and ERK 2 target proteins through intermolecular forces such as van der Waals force and hydrogen bond, among which the binding affinity with ERK 1 was the strongest. This finding provides experimental basis and theoretical support for the development of targeted anticancer drugs derived from natural products.

Torreya grandis arils (TGAs), historically underutilized due to processing limitations, have gained value through the efficient extraction of essential oils. However, the post-distillation residue from this process remains rich in non-volatile bioactive compounds. In the present study, the post-distillation TGAs were systematically investigated and led to the identification of 32 diterpenoids, including twenty-three abietane-type 1-23, two pimarane-type 24-25, and seven labdane-type diterpenoids 26-32. Compounds 1-5 were elucidated to possess previously undescribed structures by extensive spectroscopic methods and quantum chemical calculations of NMR coupled with DP4+ probability analysis. Compounds 7, 8, 14, 19, 20, 23, 25, 29, 30, and 31 were obtained for the first time from the genus Torreya. In an in vitro bioassay, compounds 2, 3, 6, 7, 8, 10, 12, 26, 27, and 30 exhibited significant suppression of interleukin-6 (IL-6) and interleukin-1β (IL-1β) gene expression in LPS-induced RAW 264.7 macrophages, demonstrating anti-inflammatory potential.

Phytochemical investigation of the stems and leaves of the plant Melodinus tenuicaudatus led to the isolation of four previously unreported monoterpene indole alkaloid dimers, namely melocaudusines A-D (1-4), together with four known analogues (5-8). Comprehensive analysis of the spectroscopic data, combined with computational methods, enabled the structural elucidation and assignment of the absolute configurations of these alkaloids. All isolated compounds exhibited good cytotoxicity against one to three tumor cell lines. Among them, compounds 1 and 4 showed potency comparable to that of the positive control, with IC50 values ranging from 3.72 to 12.92 μM.

Ginkgolide B (GB), a unique cage-structured diterpenoid lactone from Ginkgo biloba, exerts potent multi-target pharmacological effects (anti-platelet aggregation, anti-inflammation, antioxidant, anti-apoptosis, ferroptosis-inhibiting) with high safety, holding great promise for treating complex diseases such as cardio-cerebrovascular and neurodegenerative disorders. However, its clinical translation and industrialization are severely hindered by inherent bottlenecks, namely low oral bioavailability, poor blood-brain barrier penetration, and extremely low natural extraction yield. Distinct from existing fragmented reviews, this work focuses on constructing an integrated framework of from structure-activity relationship and preparation/purification technology to pharmacological mechanism and clinical transformation strategy. It systematically summarizes the structural basis of multi-pathway synergistic effects centered on platelet-activating factor receptor (PAFR) antagonism, compares the advantages and limitations of extraction, biosynthesis and chemical synthesis technologies, and clarifies the core molecular mechanisms of its pharmacological activities through in vitro/in vivo evidence. Key conclusions highlight that novel formulation strategies, rational structural modification, and standardized experimental protocols are critical to overcoming GB's defects. This review provides novel insights for clinical translation: guiding the development of brain-targeted or organ-specific delivery systems, offering structural guidance for high-bioavailability derivatives, and establishing a standardized research system to reduce inter-study heterogeneity. Ultimately, it bridges the gap between basic research and clinical application, laying a foundational reference for GB's rational utilization in precision medicine and the development of novel GB-based therapeutics.

This study aims to elucidate the efficacy differences and underlying mechanisms of Schisandra chinensis (SC) and its processed products against Alzheimer's disease (AD). A total of 39 compounds were identified from SC and its processed products through UPLC-Q-TOF-MS/MS in both positive and negative ion modes. Multivariate statistical analysis revealed significant differences in chemical composition among the various processed products, with schisandrol A, epigomisin O, and angeloylgomisin O identified as key significantly differential components. Based on the identified compounds, potential targets were predicted via Swiss Target Prediction, which were then intersected with AD targets from the GeneCards and OMIM databases to construct a protein-protein interaction (PPI) network of "SC-AD" intersection targets. Enrichment analysis indicated that the core mechanism of its anti-AD effect involves the regulation of the PI3K/AKT signaling pathway. Experimental validation was conducted using the Aβ25-35-induced HT22 cell injury model and a D-galactose combined with scopolamine-induced AD mouse model. The results demonstrated that SC and its processed products significantly improved the behavioral performance of AD mice, alleviated pathological damage in brain tissue, and reduced pro-inflammatory factor levels. Furthermore, they upregulated AKT protein expression and inhibited mTOR protein expression. Notably, the regulatory effects of the processed products on these indicators were significantly superior to those of the raw products. In conclusion, both SC and its processed products can ameliorate AD by activating the PI3K/AKT pathway, with the effect significantly enhanced post-processing. This mechanism may be associated with the regulation of the PI3K/AKT signaling pathway.

Two pairs of previously unreported enantiomeric 5-methylcoumarins, gerbeloidanol O and P (1 and 2), and three undescribed acetophenone derivatives, gerbeloidanols Q-S (3-5), were isolated from Gerbera piloselloides. Additionally, six known coumarins (6-11) and four known acetophenone derivatives (12-15) were identified. The planar structures of the isolates were established by comprehensive analysis of NMR data, and the absolute configurations of the new compounds were determined by ECD calculations. To evaluate their potential lipid-lowering effects, all isolates were screened using an LDL uptake assay in HepG2 cells. At a concentration of 10 μM, 2-[(2S*)-6-acetyl-2,3-dihydro-5-hydroxybenzofuran-2-yl]prop-2-enyl-3-methylbutanoate (15) significantly enhanced LDL uptake and reduced the PCSK9 protein level in the culture medium by 53.03%. Gerbeloid J (7) and 3-(2-hydroxy-3-methyl-3-butenyl)-5-(3-methyl-2-butenyl)-4-hydroxyacetophenone (14) were also effective in increasing LDL uptake.

This study aims to identify the most primary hepatoprotective compound from Hypericum japonicum and elucidate its underlying mechanisms of liver protection. This study screened 15 compounds from Hypericum japonicum against D-GalN-induced AML12 cell injury, identifying TAX (Compound 8, taxifolin 7-rhamnoside) as the most hepatoprotective. This study indicates that TAX reduced AST, ALT, and MDA levels, while enhancing SOD and GSH levels in D-GalN-induced AML12 and LPS/D-GalN -induced liver. In addition, TAX attenuated LPS/D-GalN-induced hepatic injury by lowering inflammatory infiltration and pro-inflammatory cytokines (TNF-α, IL-6 and NO) levels. Network pharmacology analysis revealed common targets between TAX and drug-induced liver injury, forming a protein-protein interaction (PPI) network. Functional enrichment (GO/KEGG) and molecular docking indicated strong binding affinity between TAX and AKT1, confirmed by molecular dynamics simulations. Western blot analyses that TAX ameliorated inflammation and oxidative stress through down-regulating the AKT/NF-κB pathways and up-regulating Nrf2/HO-1 pathways in vivo, TAX inhibited apoptosis via up-regulating Bcl-2 and down-regulating Bax in vitro. Collectively, this study demonstrates that TAX ameliorates LPS/D-GalN-induced ALI by attenuating hepatocyte apoptosis, inflammatory responses, and oxidative stress.

Ganoderma fungi have long been used as functional foods and traditional medicines in Asian countries. Five previously undescribed and five known meroterpenoids were isolated from the fruiting bodies of Ganoderma guinanense. The structures of undescribed compounds, named ganoduriporols M-Q (1-5), were elucidated by spectroscopic data including NMR and HRESIMS. Compounds 1, 2, and 4-10 exhibited notable α-glucosidase inhibitory activity (IC50, 1.67-21.16 μM), markedly superior to acarbose, among which 1 and 5 were the most potent, showing 60-fold and 126-fold greater inhibition, respectively. This series of compounds also inhibited PTP1B (IC50, 2.83-53.42 μM), with the most potent being 1, 2, 9, and 10, showing greater activity than the positive control. Enzyme kinetics identified nine active meroterpenoids as non-competitive/mixed-type α-glucosidase and PTP1B inhibitors. Molecular docking revealed that hydrogen-bond interactions between the meroterpenoids and key residues of α-glucosidase and PTP1B contributed to enhanced binding specificity, while salt bridges and π-stacking interactions stabilized these compounds within the enzyme active sites. This study investigates Ganoderma meroterpenoids for diabetes treatment and identifies natural-derived antidiabetic candidates.

The phytochemical investigation of extracts of Dalea lanata var. terminalis root and aerial portions has led to the isolation and characterization of a suite of bioactive phenolic compounds. The structures of a previously undescribed flavone (1), a flavanone (3), and an isoflavan (9), were deduced by NMR spectroscopy, supported by HR-ESI mass spectrometry. Nine known compounds were also isolated and identified. Compounds 1, 3, and 9 were summarily names lanatans A-C. The absolute configurations of chiral centers were determined by circular dichroism (CD) spectroscopy or verified for known compounds by optical rotation. The in vitro antimicrobial activities were determined for all previously untested compounds against biomedically relevant pathogens. The strongest activities observed for the new compounds were for lanatan A (1); MICs of 2.9 μM against methicillin resistant Staphylococcus aureus (MRSA) and 3.0 μM against vancomycin resistant Enterococcus faecalis (VRE). Lanatan B (3) was ten-fold less active (MIC 13.5 μM) against these pathogens, and lanatan C (9) was essentially inactive. The known compounds 2, 4, and 8 exhibited moderate activities, with MICs of 15.7, 9.6, and 3.3 μM, respectively, toward the fungal pathogen Cryptococcus neoformans. D. lanata var. terminalis expresses metabolites in common with Dalea spp. of the US Southwest and West studied previously in our laboratory, including D. albiflora, D. nana, D. searlsiae, and D. pogonathera, suggesting a common lineage. The known biosynthetic precursor of flavonoids, trans-cinnamic acid (12) was isolated for the first time, to our knowledge, from a Dalea species.

Pittosporopsis kerrii Craib is traditionally used to relieve inflammatory conditions, but its molecular mechanisms remain unclear. This study investigated the anti-inflammatory effects of the hexane extract of P. kerrii (PK-H) in lipopolysaccharide (LPS)-stimulated RAW 264.7 macrophages, with emphasis on STAT1 signaling. Cell viability was evaluated using the MTT assay. Anti-inflammatory activity was assessed by measuring nitric oxide (NO) production, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), tumor necrosis factor-α (TNF-α), and interleukin-6 (IL-6). Activation of NF-κB, MAPKs, and STAT1 was examined by Western blotting and immunofluorescence. Phytochemical profiling was performed by LC-MS/QTOF, and putative constituents were analyzed by molecular docking against STAT1, JAK1, JAK2, and IFNGR1. PK-H showed low cytotoxicity (CC₅₀ ≈ 155.4 μg/mL) and significantly inhibited NO production (IC₅₀ ≈ 15.7 μg/mL). The extract reduced iNOS expression and proinflammatory cytokine release, while not markedly reducing NF-κB phosphorylation but partially preserving IκB and limiting NF-κB nuclear accumulation, despite negligible effect on MAPK activation. In contrast, PK-H markedly suppressed STAT1 phosphorylation and nuclear translocation. LC-MS/QTOF analysis revealed diterpenoids dominated by icacinlactone and icacinol derivatives. Docking studies identified 12-hydroxyicacinlactone A and icacinlactone A as consistent binders to JAK-STAT pathway targets. PK-H exerts anti-inflammatory effects predominantly through selective inhibition of the JAK-STAT1 pathway. Its diterpenoid constituents represent promising leads for STAT1-targeted anti-inflammatory agents.

HPLC-UV-Guided chemical investigation into a soil-derived Stachybotrys species led to the isolation of two new phenylspirodrimanes (1 and 2), two new natural products (3 and 4), and six known compounds. Their structures were elucidated by extensive spectroscopic analysis. The absolute configuration of 6 was confirmed unambiguously by single-crystal X-ray diffraction analysis. Compounds 1-3 and 5-9 were evaluated for their cytotoxic activity against five human tumor cell lines. As a result, compounds 1, 2, 5, 8, and 9 showed significant to moderate cytotoxicity to all or some of the tumor cell lines with IC50 values in the range of 12.71-25.51 μM.

Ischemic stroke (IS), accounting for about 71% of stroke cases, is the most common form of this significant global cause of disability and mortality. Shunaoxin dropping pills (SNX), a traditional Chinese medicine, have demonstrated notable therapeutic benefits for IS patients. However, preclinical studies investigating its mechanisms remain scarce. This study examined the role of SNX in mitigating cerebral I/R injury by inhibiting ferroptosis, with an emphasis on the AKT/Nrf2/HO-1 signaling pathway mechanisms. LC-MS/MS was used to analyze the chemical composition of SNX. Rats were administered SNX (45 or 90 mg/kg/d) for three consecutive days prior to MCAO model surgery. Neurological impairment in rats was evaluated and histopathological damage was assessed. The levels of Fe2+, MDA, and GSH in brain tissue were measured using commercial assay kits. The expression of GPX4, SLC7A11, ACSL4 were evaluated via western blot. The expression of FTH1 and FPN1 were detected by immunofluorescence. Network pharmacology identified potential SNX targets linked to ferroptosis and ischemic stroke. The study then investigated the activation of the AKT/Nrf2/HO-1 signaling pathway by SNX. Following SNX treatment, MCAO rats exhibited notable enhancements in neurobehavioral scores, decreased infarct volume, and diminished pathological damage. SNX exerted neuroprotective effects by attenuating lipid peroxidation and inhibiting ferroptosis. Network pharmacological analysis initially suggested, and subsequent experiments indicated, that the inhibition of ferroptosis by SNX has a strong correlation with the activation of the AKT/Nrf2/HO-1 signaling pathway. In conclusion, SNX ameliorates cerebral I/R injury through reducing ferroptosis, likely via AKT/Nrf2/HO-1 pathway activation.

A systematic phytochemical study was carried out on the ethanol extract of the dried rhizomes of Ferula ferganensis Lipsky ex Korovin. Twelve compounds were successfully isolated, including five new daucane-type sesquiterpenes, ferganensisols A-E (1-5), and seven known daucane analogues (6-12). All the compounds were determined by high-resolution electrospray ionization mass spectrometry (HRESIMS), nuclear magnetic resonance (NMR), and electronic circular dichroism (ECD) calculations. In vitro, anti-proliferative activity experiments showed that compounds 2 and 8 exhibited remarkable cytotoxic activities against pancreatic cancer cell lines.

Eclipta prostrata, a traditional Chinese medicinal herb known as the "miracle hemostatic herb," is clinically used for treating bleeding disorders. However, the active components and mechanisms of action remain unclear. This study aimed to reveal the active components and mechanisms of Eclipta prostrata in treating heat-induced gastric hemorrhage (HGH) through network pharmacology and experimental verification. Firstly, Eclipta prostrata ethyl acetate extract (EPE-EtOAc) reduced gastric mucosal bleeding spots, increased platelet count (PLT), shortened prothrombin time (PT) and thrombin time (TT), and lowered fibrinogen (FIB), indicating that it is the active extract of Eclipta prostrata in treating HGH. Subsequently, a total of 31 compounds were identified in EPE-EtOAc using UPLC-QE Orbitrap MS/MS, among which 11 entered the bloodstream as parent compounds and 2 as metabolites. Furthermore, there were 131 common targets between EPE-EtOAc and HGH. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses identified the PI3K-Akt pathway as a key mechanism of Eclipta prostrata in treating HGH. Additionally, molecular docking revealed that apigenin, luteolin, and wedelolactone were potential hemostatic components. Finally, animal experiments showed that wedelolactone, luteolin, and apigenin shortened bleeding time, reduced gastric mucosal bleeding spots, increased PLT, shortened PT and TT, and lowered FIB. This study revealed that Eclipta prostrata alleviated HGH via modulation of the PI3K-Akt signaling pathway, with its hemostatic components including wedelolactone, luteolin, and apigenin.

Diabetes Mellitus (DM) is a metabolic syndrome characterized by hyperglycemia and associated with defects in insulin production and action. This study aimed to delineate the antidiabetic potential of Salix babylonica. Streptozotocin (55 mg/kg) was used to develop a subacute model of diabetes in Sprague-Dawley rats. Ten days later, fasting and random blood glucose levels, water and food intake, and body weight (BW) were recorded. Serum insulin levels were examined to ensure the induction of diabetes mellitus. The effects of oral administration of MESB at doses of 250, 500, and 750 mg/kg on body weight; fasting and postprandial hyperglycemia; oral glucose tolerance test (OGTT); serum concentrations of HbA1c, adiponectin, amylase, tumor necrosis factor-α (TNF-α), catalase, and superoxide dismutase (SOD); histopathological changes in the pancreas, liver, and kidney; and mRNA expression of TNF-α, SIRT1, and SIRT2 were studied over 28 days. MESB significantly improved FBG, RBG, BW, polyphagia, polydipsia, and glucose tolerance in a preclinical DM model. In addition, MESB significantly decreased the serum HbA1c and TNF-α levels. However, the serum adiponectin, amylase, catalase, and SOD levels increased substantially. Moreover, histopathological analysis showed that MESB-corrected DM induced pathological changes in the organs of the diabetic rats. Finally, molecular analysis revealed that MESB significantly reduced the overexpression of the TNF-α transcript, whereas the mRNA expression of SIRT1 and SIRT2 significantly increased in diseased animals. Overall, the findings highlighted that Salix babylonica extract could be a successful therapeutic candidate for ameliorating DM.

Plant-derived polysaccharides are promising phytotherapeutics for mucosal inflammation. We purified an O-acetylated glucomannan (DOP-a) from Dendrobium officinale and investigated its protective effects against dextran sulfate sodium (DSS)-induced colitis and the underlying immune and oxidative-stress mechanisms. DOP-a was purified and structurally characterized, and its monosaccharide composition, molecular weight, and O-acetylation/branching patterns were determined. In a chronic DSS mouse model, disease activity, colon length, histopathology, tight-junction proteins, and inflammatory cytokines were evaluated. Colonic TLR4/MyD88/NF-κB and Nrf2/HO-1 signaling were examined at the protein and transcript levels. Gut microbiota changes were profiled by 16S rRNA sequencing, and serum metabolomics was used to explore associated metabolic alterations. DOP-a significantly attenuated body weight loss, prevented colon shortening, and mitigated histological injury. It improved tight-junction-related markers (ZO-1, occludin, claudin-1) and reduced pro-inflammatory cytokines (TNF-α, IL-6, IL-1β) in serum and colon. Mechanistically, DOP-a downregulated TLR4 and MyD88 expression, inhibited NF-κB p65 phosphorylation, and activated Nrf2/HO-1, thereby limiting inflammatory and oxidative damage. DOP-a also partially reversed DSS-induced dysbiosis, enriching beneficial taxa and rebalancing lipid- and amino acid-related metabolites consistent with anti-inflammatory activity. Together, these findings indicate that DOP-a acts as a natural immunomodulatory polysaccharide that protects against experimental colitis by jointly targeting TLR4/NF-κB and Nrf2/HO-1 pathways, with adjunct modulation of the gut microbiota-metabolite axis. Structurally defined D. officinale polysaccharides therefore represent promising phytotherapeutic candidates for inflammation-related intestinal disorders.

Four previously unreported sesquiterpene glycosides, namely trichothecosides A-D (1-4), and one known compound (5) have been isolated from potato-associated fungus Trichothecium crotocinigenum. The structures were characterized through spectral data analysis, ECD and X-ray crystallography. Compounds 1-4 are four sesquiterpene 4-O-methyl mannopyranosides. Compound 1 exhibits moderate antifungal activity against Rhizoctonia solani and Fusarium oxysporum (MIC values ranging from 32 to 128 μg/mL), positioning it as a potential fungicide for controlling potato fungal diseases.