Chemistry & Biodiversity最新文献

Parkinson's disease (PD) is characterized by advanced neuronal degeneration, mitochondrial impairment, and aberrant lipid metabolism. Emerging evidence suggests that dysregulated sphingolipid biosynthesis, particularly through the upregulation of serine palmitoyltransferase (SPTLC1), contributes to the pathogenesis of PD. This study investigates the neuroprotective potential of Zanthoxylum armatum essential oil (ZAEO) in an MPP⁺-induced SH-SY5Y cell model of PD, focusing on modulation of SPTLC1 expression and associated neurotoxicity. GC-MS (Gas Chromatography-Mass Spectroscopy) analysis identified 28 phytoconstituents in ZAEO, accounting for 99.9% of its composition, with linalool (66.74%) and limonene (17.78%) as the principal components. ZAEO treatment significantly attenuated MPP⁺-induced cytotoxicity, restored neuronal nuclear marker NeuN (Neuronal nuclei), and notably suppressed the overexpression of SPTLC1, a key enzyme driving ceramide accumulation and mitochondrial stress in PD pathology. Immunofluorescence and cell viability assays corroborated these protective effects. Furthermore, molecular docking of ZAEO constituents with SPTLC1 (PDB ID: 7K0K) revealed high-affinity binding of minor compounds, including phellandral, humulene, and (-)-carvone, suggesting direct interactions with the enzyme and potential inhibition. These findings underscore the ability of ZAEO to mitigate neurodegeneration by modulating the sphingolipid axis and support its development as a multi-targeted phytotherapeutic strategy for Parkinson's disease.

The extraction methods significantly affect the yield and structure of polysaccharides. Based on single-factor experiments, response surface methodology optimized ultrasound-assisted extraction conditions for corn silk polysaccharides (CSP): liquid-to-solid 43 mL/g, extraction time 3 h, and ultrasonic power 640 W, yielding 5.83% CSP. Sulfated, phosphorylated, and selenylated derivatives (CSP-S, CSP-P, and CSP-Se) were prepared with substitution degrees of 0.6 and 0.4, and selenium content of 5.3%, respectively. After confirming structures by UV, FT-IR, SEM, monosaccharide, and Congo-red analyses, the bioactivities of the modified CSP were compared. All derivatives improved antioxidant capacity in vitro: phosphorylation boosted DPPH scavenging, while sulfation enhanced hydroxyl and superoxide anion radical elimination. Selenylation markedly inhibited the activities of α-amylase and lipase, and promoted glucose consumption in HepG2 cells, demonstrating hypoglycemic potential. Moreover, all polysaccharides enhanced RAW264.7 cell viability, phagocytosis, and nitric oxide (NO) release, with CSP-S being most effective. Chemical modifications markedly improved CSP bioactivities, highlighting their application prospects.

Propolis is a polyphenol-rich natural resin with well-documented antioxidant activity; however, its practical application is restricted by poor aqueous solubility and limited stability. Herein, propolis-based organic-inorganic hybrid nanoflowers (Prp-Nfs) were synthesized by integrating a propolis extract into a Cu₃(PO₄)₂·3H₂O matrix under mild aqueous conditions (0.8 mM Cu^{2 +}, pH 7.4, 25°C, 72 h). SEM and laser diffraction analyses confirmed the formation of uniform spherical Prp-Nfs with a relatively narrow size distribution. EDX, FTIR, and XRD analyses verified the formation of well-integrated organic-inorganic hybrid architecture arising from interactions between copper ions and propolis-derived functional groups. Functionally, Prp-Nfs exhibited markedly enhanced peroxidase-like activity, reaching 2.76 EU mg^{- 1} at pH 7.4 and 40°C, while retaining 58.1% of their initial activity after five reuse cycles. Despite a lower total phenolic content, Prp-Nfs demonstrated superior DPPH radical scavenging activity (94.4%) together with a substantial ABTS antioxidant capacity (475.6 µmol Trolox g^{- 1}). Overall, these findings identify Prp-Nfs as a propolis-based hybrid nanozyme platform that combines peroxidase-like catalytic activity with enhanced antioxidant functionality.

Salvia miltiorrhiza Bunge, known as danshen in China, is a key medicinal herb in traditional Chinese medicine that has long been used for the treatment of cardiovascular and cerebrovascular disorders. Its principal bioactive constituents fall into two broad categories: water-soluble phenolic acids (primarily including danshensu, salvianic acid A, salvianolic acid B, and rosmarinic acid) and lipid-soluble diterpenoids (primarily including tanshinone I, tanshinone IIA, cryptotanshinone, and dihydrotanshinone). Accumulating evidence shows that these active components exert diverse pharmacological effects, including anti-tumor, anti-inflammatory, antioxidant, and anti-neurodegenerative activities, via modulating the phosphatidylinositol 3-kinase (PI3K)/protein kinase B (Akt) signaling pathway. Consistently, these components hold promising therapeutic potential against various diseases, including cancer, atherosclerosis, Alzheimer's disease, and diabetic nephropathy. Nevertheless, there is still a lack of a comprehensive and systematic summary of the precise mechanisms by which the active ingredients of danshen exert their therapeutic actions against the aforementioned diseases via the PI3K/Akt signaling pathway. To address this gap, this review systematically summarizes the regulatory effects of danshen's active components on the PI3K/Akt signaling pathway, aiming to clarify their therapeutic potential in various pathological conditions and thereby provide novel insights for the basic research and clinical application of danshen.

Gastric ulcers are common gastrointestinal lesions resulting from oxidative stress and inflammation. Artemisia herba-alba, a medicinal plant with antioxidant and anti-inflammatory properties, was evaluated for its curative effects against acetic acid-induced gastric ulcers in Wistar rats. The aqueous leaf extract was characterized by LC-MS and qualitative screening, and the major compound, quinic acid, was analyzed through in silico ADMET and molecular docking studies. In vitro assays assessed antioxidant activity, while in vivo experiments involved ulcer induction with 3% acetic acid and restraint stress for 8 days. After ulcer induction, rats received either no treatment or the extract (100 or 200 mg/kg) for 3 days. Gastric tissues were analyzed macroscopically, microscopically, and biochemically for oxidative stress markers. The extract showed moderate radical scavenging capacity, and docking results indicated strong binding of quinic acid to key antioxidant enzymes. ADMET predictions revealed favorable pharmacokinetic and safety profiles. Treatment significantly reduced the ulcer area, improved gastric pH, and restored antioxidant enzyme activities in a dose-dependent manner. Histological evaluation confirmed marked mucosal healing, particularly at 200 mg/kg. These findings indicate that Artemisia herba-alba extract accelerates gastric healing through antioxidant and anti-inflammatory mechanisms, supporting its traditional use and therapeutic potential in ulcer management.

This study investigates the efficacy of natural date stem powder (NDSP) as an economical and environmentally sustainable adsorbent for the removal of crystal violet dye from wastewater. Thorough characterization using SEM, FTIR, and XRD elucidated NDSP's structural and functional attributes favorable for dye adsorption. A systematic evaluation of critical parameters such as initial dye concentration (1-10 mg/L), adsorbent dosage (0.5-3 g/L), contact period (0-120 min), stirring speed (0-700 rpm), and ionic additives was investigated to determine optimal conditions for maximum removal efficiency. The equilibrium values conform most closely to the Langmuir isotherm model (R² = 0.78), signifying monolayer adsorption with a maximum capacity of 9.47 mg/g. Kinetic analyses demonstrated a strong connection with the Elovich model (R² = 0.982), affirming chemisorption as the primary process. Thermodynamic analysis indicated a spontaneous process (ΔG° = -5.72 to -6.83 kJ/mol) and an endothermic reaction (ΔH° = 7.36 kJ/mol). These findings establish NDSP as a viable, sustainable option for wastewater treatment, integrating agricultural waste valorization with efficient dye elimination.

In this study, novel di- and tetrapropargyl derivatives of (+)-catechin were synthesized and characterized using IR, ¹H and ¹³C{¹H} NMR, as well as LC-MS. Furthermore, the ground-state geometries of compounds 1 and 3 were optimized using DFT calculations at the B3LYP/6-31G(d) level. These optimizations allowed the identification of key bond length and angle variations. Tetrapropargyl-catechin (3) shows a significantly higher antiplasmodial activity than dipropagyl-catechin (1), with IC₅₀ values of 4.70 µg/mL and 20.22 µg/mL, respectively. Notably, 1 demonstrated low toxicity (IC₅₀ > 100 µg/mL), while 3 showed higher toxicity (IC₅₀ = 7.1 µg/mL). Complementary in silico molecular docking studies were conducted using the PfAMA1 protein (PDB: 3SRJ), a crucial receptor involved in parasite-host cell interaction. Both compounds demonstrated favorable binding profiles, with 3 achieving the best docking score (E = -7.4 kcal/mol), in agreement with the in vitro results. Computational analyses, including HOMO-LUMO and molecular electrostatic-potential mapping (MEP), revealed insights into the compounds' electronic properties and potential for further functionalization. The introduction of multiple propargylic groups in 3 enhanced π-delocalization, thus potentially increasing its binding affinity, while it may also be associated with higher cytotoxicity. These findings highlight the promising antimalarial potential of propargylated catechin derivatives, particularly dipropargyl-catechin (1), for the favorable cytotoxicity profile, for future antimalarial drug development.

Breast cancer remains one of the leading causes of cancer-related mortality in women, emphasizing the urgent need for safer and more effective therapeutic agents. Natural phytochemicals, due to their structural diversity and pharmacological potential, are increasingly recognized as promising candidates in anticancer research. In this study, the anticancer activity of the n-hexane extract from Gmelina arborea leaves was evaluated through a multidisciplinary approach involving LC-MS/MS analysis, molecular docking, molecular dynamics (MD) simulation, and in vitro cytotoxicity assays. LC-MS/MS profiling identified 83 phytochemicals based on accurate mass measurements and fragmentation patterns. Among them, hesperetin-3',5,7-tri-glucuronide, emerged as a key compound due to its potential interaction with the epidermal growth factor receptor (EGFR). Molecular docking studies using EGFR crystal structures (1M17 and 1IVO) revealed strong binding affinities of -9.122 and -7.246 kJ/mol, respectively. MD simulations further validated the complex stability for compound 77. Additionally, the extract demonstrated cytotoxic activity against MCF-7, HepG2, and HEK-293 cell lines, with the strongest activity observed in MCF-7 breast cancer cells. These findings were further supported with a clonogenic assay on MCF-7 cells using IC₅₀ concentration. Overall, the findings highlight Gmelina arborea as a promising source of anticancer agents.

Ligusticum chuanxiong Hort. (CX), a traditional herbal plant, has demonstrated significant therapeutic potential for treating neurological disorders. However, systematic studies screening its key active compounds for Parkinson's disease (PD) have been limited. This study aims to comprehensively identify the primary anti-PD compounds derived from CX by integrating computational and experimental approaches, including network pharmacology, HPLC analysis, spectrum-effect relationships, and molecular docking, alongside cellular and animal model validation. Our findings indicate that among the three CX extracts tested, CXEO (essential oil of CX) exhibited the most potent anti-PD activity. Spectrum-effect relationship analysis, validated through experimental studies, identified Senkyunolide A as the key active compound in CXEO. Network pharmacology analysis, further supported by validation using the GEO database, revealed tumor necrosis factor (TNF), interleukin 1β (IL-1β), intercellular adhesion molecule 1 (ICAM1), vascular cell adhesion molecule-1 (VCAM1), and prostaglandin endoperoxide synthase 2 (PTGS2) as the primary molecular targets through which Senkyunolide A exerts its anti-PD effects, suggesting that its mechanism of action may involve modulation of inflammatory pathways. Additional investigation into differentially expressed genes related to PD, based on the GEO database, further confirmed the clinical relevance of Senkyunolide A in PD. These findings suggest that Senkyunolide A from L. chuanxiong Hort. holds potential as a therapeutic compound for PD.

Three previously undescribed compounds (1-3), including an unusual pyridazine derivative, one sesquiterpenoid, and a polyketide with novel stereochemistry, together with 24 known compounds (4-27), were isolated from the deep-sea-derived Penicillium limosum ZEN48. The structures of the new compounds were elucidated by comprehensive analyses of one- and two-dimensional nuclear magnetic resonance, high-resolution electrospray ionization mass spectrometry, and optical rotation calculation. Compounds 13, 18, and 19 exhibited considerable inhibitory effect in osteoclast formation at 20 µM in bone marrow-derived monocytes, indicating their potential application in anti-osteoporotic therapy.