Chemistry & Biodiversity最新文献

Five Siraitia grosvenorii polysaccharides (SGPs), namely, SGP-H, SGP-A, SGP-B, SGP-E, and SGP-U, were extracted from hot air-dried fruits using hot water extraction (HWE), acid-assisted extraction (ACAE), alkaline-assisted extraction (ALAE), enzyme-assisted extraction (EAE), and ultrasonic-assisted extraction (UAE), respectively. The extraction yields of ACAE and ALAE were 1.65- and 1.59-fold higher than that of traditional HWE, respectively. Monosaccharide composition analysis showed that SGP-H, SGP-A, SGP-E, and SGP-U were acidic heteropolysaccharides composed of mannose, rhamnose, glucuronic acid, galacturonic acid, glucose, galactose, and arabinose with a notable discrepancy in the molar ratio, whereas SGP-B exhibited the lowest uronic acid content and a unique monosaccharide profile dominated by glucose (76.62%). Comprehensive characterization confirmed significant differences in molecular weight, glycosidic linkage, and surface morphology among the five SGPs. Antioxidant assays indicated that SGP-B exhibited the stronger ABTS and 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging activity than the other SGPs, with EC₅₀ values of 416 ± 5.4 and 338 ± 14.8 µg/mL, respectively. Meanwhile, immunomodulatory studies on RAW264.7 macrophages revealed that SGP-B significantly enhanced phagocytosis by 29% and stimulated the secretion of immune factors. Therefore, SGP-B, obtained via ALAE, shows great application potential in the development of antioxidants and immunomodulators, and further research deserves attention.

Pulmonary fibrosis (PF) is a chronic, progressive interstitial lung disease. Buyang Huanwu Decoction (BHD) contains PF-improving compounds; it was separated into supernatant (SN) and precipitation component (PC) via water extraction and ethanol precipitation method to explore their differential PF effects, mechanisms, and screen the most effective fraction. Ultra-high-performance liquid chromatography-mass spectrometry and network pharmacology identified BHD compounds and predicted PF targets. Twelve rats (Control, BHD, PC, and SN groups) were used to detect amygdalin, formononetin, kaempferol, ferulic acid, and paeoniflorin in drug-containing serum. A rat PF model was established via intratracheal bleomycin (BLM) instillation. Seventy-two rats were divided into six groups: Control, BLM, BHD, prednisone acetate, SN, and PC. After 21-day treatment, Hematoxylin and Eosin/Masson staining, alkaline hydrolysis (Hydroxyproline), enzyme-linked immunosorbent assay (tumor necrosis factor-α/interleukin-6), immunofluorescence (alpha-smooth muscle actin), reverse transcription-quantitative polymerase chain reaction, and Western Blotting (Wnt/β-catenin and TGF-β1/Smad pathways) were used. The SN group exhibited higher serum levels of amygdalin, formononetin, and ferulic acid than the BHD and PC groups, with kaempferol similar to the BHD group. BHD, PC, and SN alleviated BLM-induced lung inflammation and collagen deposition, reduced Wnt3a, glycogen synthase kinase 3 beta, β-catenin, and transforming growth factor beta 1 (TGF-β1) mRNA/protein expression, and decreased the p-Smad3/Smad3 ratio. BHD and its fractions alleviate PF through dual inhibition of Wnt/β-catenin and TGF-β1/Smad pathways, with SN demonstrating the highest overall efficacy.

With the increasing prominence of population aging, antiaging research has garnered significant attention. This study investigated the antioxidant and antiaging effects of a crude Gynura divaricata polysaccharide (GDP) and its purified fractions (GDP1, GDP3), prepared via a H₂O₂/Vc-assisted method. All GDPs exhibited potent radical-scavenging activity in vitro. In a Caenorhabditis elegans model, GDPs significantly extended lifespan (up to 19.17%), enhanced motility, and increased heat stress resistance. Treatment with 2 mg/mL GDP markedly reduced lipofuscin accumulation by 43.6% and elevated superoxide dismutase (SOD) and catalase (CAT) activities. GDP demonstrated the strongest effects. Mechanistic studies revealed GDP upregulates daf-16, sod-3, and skn-1 while downregulating daf-2 and age-1. Crucially, the lifespan-extending effect of GDP was abolished in daf-16 mutants, demonstrating that their antiaging action operates primarily via the insulin/IGF signaling (IIS) pathway.

This study aims to synthesize new benzimidazole compounds and assess their anticancer potential in vitro using the human breast cancer cell line Michigan Cancer Foundation 7 (MCF-7). Using innovative molecular docking and computational analyses, this study investigates the therapeutic potential of newly synthesized benzimidazole derivatives by focusing on a protein that is strongly inhibited by doxorubicin, a widely used cancer treatment. Benzimidazole derivatives were synthesized via multiple approaches and were thoroughly characterized by Fourier transform infrared spectroscopy (FTIR) and ¹H NMR spectroscopy, as well as theoretical analyses. The results showed that Compounds A4 and A5 exhibited good potency against the tested breast cancer cell line, with IC₅₀ values of 142.6 and 187 µg/mL, respectively. Density functional theory (DFT) calculations were performed at the level to determine the most stable molecular conformation and its electrostatic and electronic properties. Molecular docking studies revealed that the effectiveness of Compounds (A1-A8) is comparable with that of doxorubicin (B), an FDA-approved anticancer molecule against estrogen receptor-α (ERα) protein, which is responsible for many side effects. The interaction of the A8 compound with protein 1A52 causes the best negative binding energy (-7.85 kcal/mol), whereas the calculated value for the B compound is -8.783 kcal/mol. Compounds (A1, A2, A3, A4, A5, A6, and A7) show a good binding energy for 1A52 (-5.41, -7.14, -6.29, -6.39, -6.65, -7.69, and -6.56 kcal/mol, respectively). Benzimidazole derivatives (A1-A8) may therefore be proposed as new anticancer agents targeting ERα protein.

This study evaluated the chemical composition and biological activities of leaves, stems, and rhizomes of Kaempferia parviflora. Leaves exhibited the highest polyphenol and flavonoid contents, followed by rhizomes and stems. All extracts showed antioxidant, α-glucosidase, and acetylcholinesterase inhibitory activities with similar trends, highlighting the therapeutic potential of the leaves. In contrast, the rhizomes demonstrated stronger tyrosinase inhibitory activity. This is the first study to analyze the chemical constituents and bioactivities of individual plant parts of K. parviflora collected from the Central Highlands of Vietnam. UHPLC-UV and GC-MS analyses identified 36 compounds with distinct distribution. Leaves were rich in rutin, salicylic acid, and chlorogenic acid, whereas rhizomes contained high levels of 5,7-dimethoxyflavone. Correlation analysis revealed that biological activities were positively associated with phenolic and flavonoid content and several key compounds. These findings confirm the pharmacological potential of the leaves as a sustainable source of bioactive ingredients for medicinal and functional food applications.

Three compatible solutes and one compound of unknown ecological function were isolated and characterized from the deep-sea sponge Mycale lingua (Bowerbank, 1866), collected from Tisler reef in Norway. These included the first isolation of asterubine and sulcatin from M. lingua as well as two new sulcatin analogues, sulcatin B and sulcatin C, which have not previously been reported from natural sources. Compound structures were elucidated through high-resolution liquid chromatography-mass spectrometry, and one- and two-dimensional nuclear magnetic resonance spectroscopic methods. All four compounds were tested in tau-tau aggregation assays to determine if they had potential for the treatment of Alzheimer's disease. No activity was displayed in either the cell-free or cell-based tau aggregation assays for any of the compounds.

Aluminum chloride (AlCl₃) is a known reproductive toxicant that impairs spermatogenesis and disrupts hormonal balance. Natural antioxidants have emerged as promising candidates to counteract such effects. Cynomorium coccineum (Cc), a parasitic medicinal plant rich in polyphenols and flavonoids, possesses strong antioxidant activity but remains underexplored in the context of male fertility. This study evaluated the protective effects of Cc aqueous extract (CCAE) against AlCl₃-induced reproductive toxicity in adult male Wistar rats. Phytochemical characterization of CCAE via UPLC-MS/MS identified 14 bioactive compounds, with gallic acid as the major constituent. Total phenolic and flavonoid content, along with in vitro antioxidant assays, confirmed potent activity (2,2-diphenyl-1-picrylhydrazyl [DPPH] IC₅₀: 54.52 ± 0.84 µg/mL; reducing power: 196.01 ± 1.05 µg/mL). Acute toxicity testing established safety up to 2000 mg/kg. Rats were assigned to four groups to assess CCAE's dose-dependent effects following AlCl₃ exposure. AlCl₃ significantly reduced sperm quality, testosterone levels, and gonadosomatic index and altered testicular histoarchitecture. CCAE administration reversed these impairments, improving hormonal balance, sperm parameters, and tissue structure. These findings highlight the antioxidant-mediated protective role of Cc against AlCl₃-induced reproductive toxicity and support its potential as a natural therapeutic agent for male fertility enhancement.

Abemaciclib, a cyclin-dependent kinase 4 and 6 inhibitor, is used in treating hormone receptor-positive, human epidermal growth factor receptor 2-negative advanced breast cancer. Letrozole, a non-steroidal aromatase inhibitor, is also used in hormone-dependent breast cancer treatment, primarily in postmenopausal women, and can be prescribed in combination with abemaciclib. This study investigates the metabolic profile of abemaciclib and its interaction with letrozole, focusing on the enzymatic parameters and potential inhibitory and inductive effects when both drugs are administered simultaneously. The study utilized human liver microsomes (HLM) and recombinant cytochrome P450 3A4 enzyme (CYP3A4) systems to determine the metabolism rate and profile of abemaciclib. Abemaciclib metabolism in HLM resulted in the formation of N-desethylabemaciclib (M2) and hydroxyabemaciclib (M20) metabolites. Various concentrations of abemaciclib were incubated, and the formation of its metabolites was observed using high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS). The Michaelis-Menten constants for the formation of M2 and M20 were 43.21 ± 9.88 and 67.67 ± 11.25 µM, with a higher reaction rate observed for M20. The study confirmed CYP3A4 as the primary enzyme metabolizing abemaciclib. The inhibitory and inductive effects of abemaciclib and letrozole on CYP3A4 were then examined through different incubation protocols. Letrozole demonstrated direct inhibition of CYP3A4, reducing the formation of abemaciclib's main metabolites. Additionally, abemaciclib metabolites further inhibited CYP3A4, showing a potential for pharmacokinetic interactions when the drugs are used together. This study highlights significant interactions between abemaciclib and letrozole, particularly their combined inhibitory effects on CYP3A4.

Balanites aegyptiaca (BA) is a plant of paramount potential for the management of diabetes mellitus. The study investigates in silico studies of natural library compounds including that from BA with the assistance of network pharmacology. Balanitesin (compound 1) exhibited the highest docking score and binding free energy (∆G) values of -14.406 and -125.47 kcal/mol, respectively, and SN0224203 (compound 9) exhibited the docking score of -13.019 kcal/mol and binding free energy of -128.41 kcal/mol. These were found to be the most potential α-amylase inhibitor out of the phytoconstituents of BA, whereas the standard compound exhibited the docking score of -12.500 kcal/mol and ∆G value of -81.275 kcal/mol. The network pharmacology results also showed that SN0224203 might act as an α-amylase inhibitor, it was found to be associated with various genes like GCK, VDCC, PIK3, and mTOR and Type II diabetes mellitus pathway. The MDS results showed that the binding of SN0224203 with α-amylase was more stable as vivid from 50 to 300 ns simulation. Genes. Our results suggest that the compounds of BA were found to be potent against α-amylase. The findings are promising and suggest further in-vitro and in-vivo validation studies of the potent compounds from BA for better diabetes management.

An endophytic fungus isolated from the roots of Pteris multifida was identified as Paraconiothyrium bonneyae NS16 based on morphology combined with multigene phylogenetic analysis (ITS, LSU, SSU, TUB2, and TEF1-α). Rice-fermented cultures of P. bonneyae NS16 yielded three new isocoumarin derivatives (1-3) together with three known compounds (4-6). Their chemical structures were elucidated by high-resolution electrospray ionization mass spectrometry, nuclear magnetic resonance, and single-crystal X-ray diffraction. In bioactivity evaluations, compounds 1-6 exhibited notable antioxidant activity, with oxygen radical absorbance capacity values ranging from 0.27 ± 0.02 to 4.94 ± 0.17 (µmol TE)/µmol. In addition, compound 1 showed inhibitory activity against α-glucosidase and protein tyrosine phosphatase 1B, with 50% inhibitory concentration values of 353.5 and 27.15 µmol/L, respectively. These results highlight P. bonneyae as a productive source of bioactive isocoumarins and support their potential as antioxidant and antidiabetic leads.