Chemistry & Biodiversity最新文献

In order to valorize natural resources and the traditional use of medicinal plants in Algeria, this study exploits the antibacterial effect of Carthamus caeruleus L. Since there are few studies on this plant despite its notable therapeutic potential, this work aims to characterize the chemical composition of Carthamus caeruleus L. leaf and root aqueous extracts and to evaluate their antibacterial activity through an in vitro and in silico studies. Spectrophotometric assays and HPLC results revealed 22 components in the roots and 16 in the leaves. Disc diffusion and microdilution methods were used to study the antibacterial properties against nine standard bacterial strains. The results showed that roots exhibited the best activity on most tested strains. Both extracts were also able to inhibit the growth of Staphylococcus aureus ATCC 25923 and Escherichia coli ATSC 25922. Furthermore, no nucleic acid leakage or membrane damage was detected. However, molecular docking of the molecules indicates that some constituents have significant affinity and stability for DNA gyrase. Gallic acid, luteolin, myricetin, and orientin were found to have the highest score. The molecular docking data suggest, for the first time, that the antibacterial activity may be caused by the inhibition of DNA gyrase.

Compounds containing N-pyridylpyrazole motif have aroused interest and brought about research hotspots due to their highly-efficient insecticidal activity. The fungicidal potential of N-pyridylpyrazole derivatives has gradually been disclosed in recent years. To discover new agrochemicals with poly-heterocyclic features, a series of novel triazole thione/thioether derivatives containing pyridylpyrazole motif (8-11) was synthesized. The new compounds were identified by melting point, 1H NMR, 13C NMR, 19F NMR, HRMS, and elemental analysis. The bioassays showed that most of the pyridylpyrazole-containing triazole thione Mannich bases possessed favorable in vitro fungicidal activity toward pathogenic fungi, such as Magnaporthe oryzae, Sclerotinia sclerotiorum, Botrytis cinerea and Fusarium verticillioides, and were comparable with those of the contrast compounds A and triadimefon. Some of them exhibited moderate to good in vivo fungicidal activity against S. sclerotiorum at 0.2 mg/mL (e.g. 8f control efficacy: 60.9±3.2%). The SEM observation displayed that 8f might cause disruption of cell membrane and wall of S. sclerotiorum. Compounds 8a, 8c, 8f-8h, 8p and 9b can serve as promising new fungicidal agents to make further structural optimization. The findings in this article provide useful clue and guidance for the design and development of new poly-heterocyclic agrochemicals.

In this study, a phytochemical investigation on the methanol extract of Potentilla chinensis led to the isolation of eleven triterpenoids including ursolic acid (1), pomolic acid (2), tormentic acid (3), 2-epi-corosolic acid (4), 3-epi-corosolic acid (ECA, 5), 3β-hydroxyurs-11-en-13β(28)-olide (6), euscaphic acid (7), 2-epi-tormentic acid (8), corosolic acid (9), uvaol (10), and 3-O-acetylpomolic acid (11). Among them, ECA (5) showed potential anti-osteoclastogenic activity. To the best of our knowledge, this represents the first isolation of ECA (5) from P. chinensis as well as the first investigation of its effects on osteoclast formation. Further study revealed that ECA inhibited RANKL-induced mature osteoclast formation in vitro without compromising cell viability. Mechanistically, ECA attenuated RANKL-induced mitogen-activated protein kinases (MAPKs) and nuclear factor-κB (NF-κB) activation, leading to the inhibition of c-Fos and nuclear factor of activated T cells cytoplasmic 1 (NFATc1) activation. Moreover, ECA protected against LPS-induced inflammatory bone loss and osteoclast formation in a mouse model. However, ECA did not inhibit LPS-induced inflammatory responses in macrophages. Our findings suggest that ECA mitigates LPS-induced inflammatory bone loss in mice by inhibiting RANKL-induced activation of key osteoclastogenic transcription factors, including c-Fos and NFATc1, and may be a potential natural triterpenoid for preventing or treating osteolytic diseases.

A series of Triclosan-based hybrids and their Schiff base derivatives with isoniazid were designed through in silico modelling and synthesized using copper-catalysed azide-alkyne cycloaddition (CuAAC) reaction. These compounds were then evaluated against both Mycobacterium tuberculosis (Mtb) and Mycobacterium abscessus (Mab). However, none of the synthesized hybrids exhibited significant growth inhibition, with minimum inhibitory concentration (MIC) values consistently exceeding 100 µg/mL. To further investigate these findings, we conducted mechanistic studies including thermogravimetric analysis (TGA) and UV-Vis stability tests. TGA demonstrated thermal stability of the Schiff bases up to 270 °C, while UV-Vis analysis confirmed their chemical resilience across a wide pH spectrum, showing resistance to hydrolysis under acidic and basic conditions. The lack of observed antimicrobial activity may be attributed to the high lipophilicity of these molecules, as indicated by LogP values exceeding 5, which could limit their bioavailability. These findings suggest that although combining triclosan and isoniazid holds potential, further optimization of this hybrid strategy is necessary to improve efficacy.

The fruits of Viburnum sargentii Koehne (Vsk) are rich in bioactive polysaccharides and polyphenols, which exhibit anti-inflammatory, antioxidant, and hypoglycemic properties. This study explored the use of deep eutectic solvents (DES), specifically urea-choline chloride, as a green extraction medium to maximize polysaccharide yield from Vsk polysaccharides. Extraction conditions, including solvent composition, temperature, and time, were optimized using response surface methodology, achieving significantly higher yields and purity compared to hot water extraction. The polysaccharides extracted through DES showed a more homogeneous molecular structure, with reduced protein and pigment impurities. Bioactivity assays confirmed potent antioxidant and hypoglycemic effects, with DES-extracted polysaccharides displaying enhanced reducing power, free radical scavenging capabilities, and notable α-amylase inhibition compared to those obtained by conventional methods. These findings highlight DES extraction as an effective approach not only to improve yield and purity but also to enhance the bioactivity of extracted compounds. Consequently, DES-extracted Vsk polysaccharides show potential for use in developing functional foods and nutraceuticals. This study advances sustainable extraction technologies, positioning Vsk polysaccharides as valuable bioactive compounds with promising health applications.

Tannic acid and Fe3+ were used in this study to create a polyphenol-metal network-based composite film for the preservation of Melaleuca bracteata essential oils. The inhibition rate of ABTS and DPPH free radicals reached more than 90% at an essential oil concentration of 20 mg/mL. Additive quantities of 2.0% essential oil nano-emulsion, 0.8% tannic acid/Fe3+ solution, 0.4% microcrystalline cellulose, and 1% chitosan were used to maximize the characteristics of the composite films. When combined with FTIR analysis, X-ray diffraction and scanning electron microscopy revealed that the composite film containing the essential oil emulsion had a more reticulated structure. The essential oil composite layer on mangoes increased the fruit shelf time to 12 days, decreased weight loss by 10.81±4.70%, increased the amount of soluble solids by 2.03±0.31%, and increased the amount of vitamin C by 2.18±0.09%. A trustworthy technical method for the storage and transportation of agricultural goods is offered by this study.

Cancer is a leading cause of death worldwide, surpassed only by heart disease. Despite improved diagnosis and treatment, cancer cells still evade normal physiological processes such as apoptosis, metabolism, angiogenesis, cell cycle, and epigenetics. To mitigate the numerous side effects linked to chemotherapy, leveraging natural products emerged as a promising alternative, either alone or in tandem with traditional agents. Cinnamaldehyde, an active ingredient of Cinnamomum cassia's stem bark has emerged as a molecule of research with diverse pharmacological properties. In the present study, we report an in silico potential of cinnamaldehyde (CM) potential as an anticancer agent across thirteen anti-cancer targets in comparison with chlorambucil (CB), docetaxel (DOC), melphalan (MP). Computational tools such as DFT, CHEM3D, molinspiration, vNNADMET, SWISS ADME, admetSAR, galaxyrefine, iGEMDOCK, and DS-Visualizer were employed. Additionally, anti-cathepsin B activity was assessed for cinnamaldehyde and the mentioned drugs and the results showed comparable inhibition at nano Molar concentrations. The results supported molecular docking using iGEMDOCK. Both in silico and experimental findings substantiate cinnamaldehyde as a promising drug for cancer treatment including metastasis and invasion where cathepsin B involvement is indicated.

Candida albicans, a common fungal organism, often lives harmlessly in the human body. However, under certain conditions, it can turn into a dangerous pathogen, causing infections that range from mild to life-threatening. With rising resistance to antifungal treatments, understanding and controlling this opportunistic fungus has never been more crucial. This study highlights the potential of combining natural plant extracts, specifically the aqueous (Jdext_Aq) and ethanolic (Jdext_Et) extracts of Jatropha dioica, with nanotechnology in the form of magnetite nanoparticles (MNPs) to combat this persistent pathogen. FTIR spectra revealed significant interactions between the metabolites and MNPs, specifically through binding to the Fe³⁺ and Fe²⁺ sites. The average size of the MNPs was 11±3 nm, and they are non-toxic even at high concentration (500 μg/ml). The same effect is observed with Jdext_Et; however, Jdext_Aq is cytotoxic at this concentration. The Jdext_Aq-MNPs hybrid is toxic even at very low concentrations (250-50 μg/ml). All materials demonstrated high inhibition against C. albicans. At safe concentrations for cell viability, MNPs (500 μg/ml) and Jdext_Et-MNPs (500-50 μg/ml) achieved the highest inhibition rates of 97.13 % and 97.56 %, respectively. As antifungal resistance rises, these findings pave the way for innovative therapeutic strategies against this opportunistic pathogen.

Pomegranate (Punica granatum L.) have been subject of extensive studies for its abundance of phytochemicals and numerous biological and medicinal properties. It is a fruit-bearing tree, which is widely consumed as a nutraceutical source as well as functional food for putative health benefits. The phenolic components are the characteristic bioactive constitutes of pomegranate, including hydrolysable tannins, flavonoids, and phenolic acids. The whole plant of this tree has many medicinal folkloric uses and good therapeutic effect, such as anticancer, antioxidant, antibacterial, antiviral, hypoglycemic, lipid-lowering, cardioprotection and digestive system protection. Through comprehensive search of available literature, this narrative review can provide an up-to-date overview of the current knowledge of characteristic bioactive constituents's structure and potential health benefits of Pomegranate, which can be used as reference for the future clinical and basic research, and also helpful for the development of pomegranate into functional food and nutraceuticals.

In this study, eleven hydrazone-Schiff bases bearing benzimidazole moiety were synthesized successfully via three step reactions and structures of these products were deduced by HR-ESI-MS, 1H-, and 13C-NMR spectroscopic techniques. Lastly, these derivatives were tested for their in vitro urease inhibitory potential. Six compounds among the series attributed excellent inhibition with IC50 values of 7.20 ± 0.59 to 19.61 ± 1.10 µM better than the reference drug thiourea (IC50 = 22.12 ± 1.20 µM). Similarly, three derivatives showed significant while two compounds showed less inhibitory effects against the urease enzyme. The molecular docking analysis was carried out to reveal the binding modes and types of interaction taking place between protein (urease) and synthesized compounds. The Density Functional Theory (DFT) calculations were performed at B3LYP/6-311++G(d,p) to check the structure stability. For the account of intramolecular interaction, the DFT-D3 and Reduced Density Gradient (RDG) analysis were performed. Furthermore, the chemical nature of all compounds was explored by TD-DFT method using CAM-B3LYP functional with 6-311++G(d,p) basis set. The dynamic simulation as well as MMGBSA studies validated the binding affinity and stability of the ligand receptor complex, displaying main interactions contributing in the biological activity of the product derivatives.