Chemistry & Biodiversity最新文献

Euphorbia royleana (Euphorbiaceae) is an important succulent species and commonly known as Royle's spurge. It is used to treat inflammation, paralysis, and brain-related problems. The literature revealed that E. royleana was not well explored for phytochemical diversity and health benefits. Therefore, the current study was focused on investigating solvent-dependent chemical diversity and bioactive properties across stems, leaves, and reproductive tissue (flowers and seeds). Ethanol, 50% ethanol, and water extracts were prepared, in which the water extract of leaves showed the highest extraction efficiency (16.97%). Total phenolic content was found higher in 50% ethanol extract (112.65 ± 3.27 mg GAE/g), while flavonoid content was found higher in ethanol extract (217.31 ± 13.55 mg RE/g) of reproductive parts. Further, UPLC-PDA-based targeted polyphenol profiling showed gallic acid (23.658 ± mg/g) as the most abundant polyphenol among different parts. UHPLC-QTOF-IMS-based non-targeted metabolite profiling revealed 74 metabolites (terpenoids, flavonoid glycosides, and phenylpropanoids). Multivariate statistical analysis of identified metabolites further suggested clear organ- and solvent-specific variations. Moreover, antioxidant and tyrosinase inhibition activities were performed, and the highest activity was found in the ethanol extract of reproductive tissues. The current study provides new insights into the chemical diversity of E. royleana, highlighting its ecological significance and chemotaxonomic value within Euphorbiaceae.

The current study investigated the dynamic of the ripening process, oil yield, physicochemical properties, and wound healing activity of two olive varieties, namely Akerma and Bouchouk Guergour. The ripening index revealed that Akerma matured at a slower rate compared to the Bouchouk Guergour variety. The oil yield peaked at 12.71% for the Akerma variety at the spotted stage and 19.56% for Bouchouk Guergour at the black stage, suggesting earlier harvesting time in short-growing seasons for the former oil tree. Physicochemical analyses showed compliance with International Olive Council standards, with Akerma exhibiting lower acidity compared to Bouchouk Guergour variety. The peroxide value increased with ripening, indicating higher oxidative susceptibility in mature oils. Gas chromatography-mass spectrometry (GC-MS) analysis revealed a high content of monounsaturated fatty acids (MUFAs), particularly oleic acid. Notably, in vivo, evaluations demonstrated significant wound healing effects, with both oils achieving complete recovery by Day 28, particularly in their black stages, and showcasing anti-inflammatory properties. These findings underscore the importance of varietal selection and optimal harvest timing to enhance oil quality, yield, and therapeutic potential. This research provides valuable insights for olive growers, facilitating the maximization of production and promoting health benefits associated with high-quality olive oils.

The anticandidal activity of Monotes kerstingii leaf and root crude extracts was evaluated against five clinical Candida isolates: C. albicans, C. parapsilosis, C. krusei, C. glabrata and C. tropicalis. Extracts from both organs displayed Minimal Inhibitory Concentrations (MICs) ranging from 3.9 to 2000 µg/mL. Out of the five Candida species, the leaf hydroethanolic extract (EMKL) was the most active with MIC values of 3.9, 15.6 and 31.5 µg/mL on C. krusei, C. parapsilosis and C. albicans, respectively. The chemical investigation of these extracts led to the characterization of six previously undescribed metabolites, including a glycosylated stilbene: kerstingioside (1), three cis stilbene-coumarins: cis-kerstilbcoumarin A-C (2-4) among which two as inseparable cis/trans-mixtures, one flavanone: kerstingiiflavanone (5) and one fatty acid glycoside, monestoside B (6), alongside with 22 known compounds. The distribution of the annotated metabolites in the roots and leaves was confirmed by comprehensive RP-UHPLC-Orbitrap-MS and MS/MS analysis. In addition, all the isolated compounds were screened for their anticandidal activity. Stilbene 7 was the most active constituent, with MICs of 7.8, 15.6, and 15.6 µg/mL against C. albicans, C. krusei, and C. parapsilosis, respectively, while compounds 14 and 15 exhibited only moderate activity.

Sapindus saponaria L. (S. saponaria), popularly known as "saboeiro" or "monkey soap," is traditionally used in South America for inflammatory, infectious, and dermatological conditions. Despite its wide use, toxicological data remain limited, and the presence of triterpenoid saponins raises safety concerns. This study evaluated the toxicological and antioxidant effects of methanolic extracts from S. saponaria leaves (ESL) and fruit pericarp (ESF) using Caenorhabditis elegans as an in vivo model. ESL and ESF were chemically profiled by ESI-MS/MS, and worms were exposed to 1, 5, and 10 mg/mL of each extract. Endpoints included lethality (LC₅₀), survival, development, reproduction, oxidative stress resistance, lifespan, and expression of antioxidant genes (gst-4, ctl-1/2/3). Both extracts contained triterpenoid saponins, while glycosylated sesquiterpenes were detected only in ESF. ESL showed higher acute toxicity (LC₅₀ = 10.47 mg/mL) than ESF (LC₅₀ = 32.76 mg/mL). Survival decreased in a dose- and time-dependent manner, with stronger effects in L4 worms. Reproduction was impaired by ESL at all doses and by ESF from 5 mg/mL. Body size and pharyngeal pumping were slightly reduced but not statistically significant. Under oxidative stress, ESL conferred protection mainly in L4 worms, whereas ESF was more effective in L1s. Both extracts upregulated gst-4, but only ESL significantly induced ctl-1/2/3. ESL at 5-10 mg/mL extended lifespan. Overall, S. saponaria extracts exert distinct biological effects in C. elegans. ESL displayed stronger antioxidant and pro-longevity activity but higher toxicity, while ESF was milder and safer. These findings support the ethnopharmacological relevance of S. saponaria and provide a basis for its therapeutic exploration, highlighting the importance of extract type and concentration.

Lichen is a unique symbiotic organism that consists of fungi and photosynthetic algae and or cyanobacteria. They are known for producing a large repository of secondary metabolites, among which depsides and depsidones gain pharmacological interest. This review meticulously examines the anticancer efficacy of lichen-derived depsides and depsidones, with a focus on their chemical composition, biosynthetic pathways, and molecular mechanisms that underpin their antitumor activities across various cancer cell lines. These compounds have shown notable bioactivities, including cytotoxicity, apoptosis, and suppression of critical oncogenic cascades such as cellular proliferation, metastasis, and angiogenesis. In some studies, they have shown their selectivity for malignant cells while having minimal cytotoxicity towards healthy cells. This review also addresses the challenges for isolation and large-scale production of these metabolites and also explores the aspect of chemical synthesis or designing of synthetic analogues to increase stability, potency, and pharmacokinetic profile. In conclusion, this review emphasizes the potential application of depsides and depsidones as natural anticancer drugs, as studies strongly recommend conducting further analysis using laboratory models.

Diabetes mellitus (DM) is a group of metabolic diseases characterized by long term high blood sugar levels. This work reports the synthesis of a hydrazone Schiff base compounds based on furan-2-carboxylic acid by treating sulfuric acid with the starting material (furan-2-carboxylic acid) in ethanol solvent to get the esterified compounds. Hydrazine hydrate was then refluxed with the desired ester in ethanol solvent to get the hydrazide, which was further refluxed with 4-fluorobenzaldehyde in ethanol containing a catalytic amount of acetic acid to get the hydrazone compound. The compound has been characterized and assessed for their in vitro α-amylase, α-glucosidase, antioxidant, and dipeptidyl peptidase-IV inhibition followed by in vivo antidiabetic activity. The biological studies of the compound showed significant α-amylase (IC₅₀ = 47.11) and α-glucosidase (IC₅₀ = 25.91) activities superior than the standard acarbose. The compound attributed significant dipeptidyl peptidase-IV inhibition, and also notable antioxidant potential. Furthermore, on the basis of in vitro findings this compound showed a substantial reduction of in blood glucose level in animal model and no toxicity was observed in animal model and improvement in biochemical parameters. Furthermore, the molecular docking study showed that the compound has highest binding energy with α-amylase (-6.5) and α-glucosidase (-6.5). Additionally, ADME analysis was performed which indicated the compound pass all rules of drug and also have high GI absorption. The synthesized compound predicted bioavailable score was high. Simulation was done for further investigation of acarbose (control) and compound 3 which result show that compound 3 is more stable as compared acarbose.

Driven by the urgent need for novel anticancer agents capable of overcoming limitations associated with conventional therapies, a new series of benzo[b]oxepine derivatives featuring 1,3,4-thiadiazole (5a-5k) linkers was successfully produced through a Vilsmeier-Haack reaction, thiazole formation, and C─N cross coupling or an Ullmann-type coupling reaction with the corresponding hydrazides. The structure of the synthesized compounds was confirmed through various spectroscopic techniques, such as NMR (¹H/¹³C) and HRMS. The cytotoxic activity of the newly synthesized congeners was investigated against MCF-7, MDA-MB-231, and T-47D (human breast cancer), A549, and PC-9 (lung cancer) cell lines. It is worth noting that the half maximal inhibitory concentration (IC₅₀) value of 5i against MDA-MB-231 cells was 3.50 ± 1.03 µg mL^-1, which was obviously superior to that of etoposide (4.03 ± 1.10 µg mL^-1). From the screening results, thiadiazole analogues 5a-5k showed excellent inhibitory activity against lung carcinoma in the range of IC₅₀ values 4.79 ± 1.14 to 40.86 ± 0.93 µg mL^-1. In this series, analogues 5a, 5i, and 5j show a remarkable antiproliferative profile on the T-47D cell line with IC₅₀ values of 5.70 ± 0.90, 4.25 ± 0.76, and 4.12 ± 1.35 µg mL^-1 by using etoposide as a standard, whose IC₅₀ is 5.65 ± 0.35 µg mL^-1. Moreover, molecules 5f, 5i, and 5j demonstrated the highest docking scores of -8.83, -8.93, and -9.20 kcal mol^-1 in in silico tests conducted on the most potent compounds. These therefore displayed the most hydrophobic, electrostatic, and hydrogen bonding with the estrogen receptor complex in breast cancer (PDB: 5T1Z) because of their highest docking score. Extending our exploration, an analysis of the ADME-Tox profiling confirmed the safe use of these newly synthesized scaffolds, paving the way for promising therapeutic applications in the field of anticancer therapy. Additionally, DFT analysis identified electron-rich and electron-deficient areas on molecules, which were utilized in docking studies to compare polar and non-polar interactions with kinase. Collectively, these findings underscore the potential of 1,3,4-thiadiazole hybrids, particularly compounds 5i and 5j, as promising leads for the development of new anticancer agents.

Ferns and allies are underexplored sources of bioactives. This study evaluates the phytochemical composition and bioactivities of the ultrasound-assisted ethanolic (CT-UAE) extract of the dietary fern Ceratopteris thalictroides (L.) Brongn (C. thalictroides). The extract contained notable levels of total phenolics (4.34 ± 0.16 mg GAE/g), flavonoids (3.74 ± 0.08 mg QE/g), and alkaloids (1.27 ± 0.15 mg AE/g). Volatile and semi-volatile compounds were identified using GC-MS/MS, while LC-MS/MS profiling revealed non-volatile and polar metabolites. The extract exhibited strong antibacterial activity, producing inhibition zones of 22 ± 0.29 mm (S. aureus), 22 ± 0.89 mm (B. subtilis), 24 ± 0.44 mm (E. coli), and 14 ± 0.72 mm (K. pneumoniae), supported by MIC values of 60-90 µg/mL. Anti-inflammatory assays, including HRBC membrane stabilization and egg albumin denaturation, revealed IC₅₀ values of 426.81 ± 1.37 µg/mL and 448.35 ± 0.04 µg/mL. The extract also showed cytotoxic activity against A431 carcinoma cells, with an IC₅₀ of 57.61 µg/mL. Docking studies showed that quercetin has the strongest molecular interactions with FimH (-7.02 kcal/mol), EGFR kinase (-7.13 kcal/mol), and COX-2 (-8.91 kcal/mol). These results indicate C. thalictroides as a promising source of antibacterial, anti-inflammatory, and anticancer compounds for pharmaceutical and nutraceutical use.

To combat resistant bacterial strains, a series of compounds (8a-8n) were synthesized in moderate to excellent yields (32.8-94.0%). These analogs were subjected to preliminary screening against various bacterial strains, including Enterococcus faecalis, Escherichia coli, Bacillus subtills, Staphylococcus aureus, Pseudomonas aeruginosa, and Klebsiella pneumoniae, to evaluate their effectiveness as antibacterial agents. Compounds 8f and 8i were the most effective derivatives, displaying their best antibacterial activity against K. pneumoniae with MIC values of 16 and 32 µg/mL, respectively. Additionally, compound 8f demonstrated a beneficial synergistic effect with ampicillin. The compound 8f was found to show good interactions with dihydropteroate synthase via hydrogen bonding, π-cation interaction and π-π stacking interactions. The binding free energy (BFE) value was calculated to be -63.91 Kcal/mol. The molecular dynamics simulation showed low RMSD values (0.6 to 2.2 Å) of DHPS-8f complex and apoprotein, suggesting a stronger binding affinity. Importantly, it exhibited no toxicity toward human red blood cells (hRBC). Furthermore, the absorption, distribution, metabolism, and excretion (ADME) profile of 8f indicated its favorable drug-like characteristics.

Functionalized dendrimeric nanoparticles (BH40-PEG-F127-FA) were synthesized to develop a targeted delivery platform for combined therapeutic and imaging applications. Structural confirmation through FT-IR, ¹H-NMR, ¹³C-NMR, and MALDI-TOF mass spectrometry verified the successful formation of the macromolecular architecture. The nanoparticles exhibited hydrodynamic sizes of 190-255 nm, while transmission electron microscopy revealed micellar structures ranging from 35 to 190 nm. The critical micelle concentration of the copolymer was determined as approximately 0.001 mg/mL. Thermal analyses demonstrated the stability of BH40-PEG and BH40-PEG-F127-FA. Gd₂O₃ and sphingosine kinase inhibitors (SKI-I/II) were incorporated using a supercritical CO₂ method, and structural integrity after loading was confirmed by FT-IR and x-ray diffraction. Drug-release studies performed in phosphate-buffered saline (pH 6.7, 37°C) indicated a sustained release over 192 h. Cytotoxicity assays on A549 lung cancer cells and Beas-2B healthy epithelial cells revealed selective antiproliferative activity, while confocal microscopy demonstrated treatment-induced morphological alterations. Overall, BH40-PEG-F127-FA nanoparticles show strong potential as biocompatible carriers for targeted therapy and multimodal imaging.