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Plants (Basel, Switzerland) May 2024E. Mey. Ex Sprague (Mistletoe) is a semi-parasitic plant that grows on the branches of other trees with reported numerous biological activities. This study was aimed at...
E. Mey. Ex Sprague (Mistletoe) is a semi-parasitic plant that grows on the branches of other trees with reported numerous biological activities. This study was aimed at isolating a compound/s that will be used as a standard reference for quality control of South African-based commercialized mistletoe products and to further perform antioxidant and antimicrobial tests on the isolated compound. A dried sample of mistletoe was ground and extracted successively with hexane, dichloromethane (DCM), acetone and methanol using a serial exhaustive cold maceration procedure. The compound was isolated using column chromatography, and its chemical structure was elucidated using two-dimensional nuclear magnetic resonance (2D NMR) and ultrahigh-performance liquid chromatography-mass spectrometry (UPLC-MS). The antioxidant activity of the compound was determined using DPPH, hydrogen radical scavenging activity and reducing power assays, whereas antimicrobial activity was assessed using the minimum inhibitory concentration (MIC) method. Subjection of the DCM extract to column chromatography resulted in the isolation of a compound elucidated as olean-12-en-28-butanol-1-one, 3-hydroxy-4,4,10, 14, 20-pentamethyl (). Both the DPPH, HO radical scavenging activity and reducing power assays revealed a significant antioxidant potential of compound with an IC of 0.701 mg/mL, lower than that of gallic acid (0.793 mg/mL) for the HO radical scavenging assay. The results also indicated good antibacterial activity of with an IC of 0.25 mg/mL, compared to ciprofloxacin with an IC of 0.0039 mg/mL, against two Gram-negative (, ) and three Gram-positive (, ) bacteria. This study is the first to report on the isolation of the olean-12-en-28-butanol derivative from mistletoe of the South African ecotype.
PubMed: 38794452
DOI: 10.3390/plants13101382 -
Pharmaceuticals (Basel, Switzerland) May 2024The Pulsatilla decoction is a well-known herbal remedy used in clinical settings for treating vulvovaginal candidiasis (VVC). However, the specific mechanism that makes...
Transcriptomics Reveals Effect of Decoction Butanol Extract in Alleviating Vulvovaginal Candidiasis by Inhibiting Neutrophil Chemotaxis and Activation via TLR4 Signaling.
The Pulsatilla decoction is a well-known herbal remedy used in clinical settings for treating vulvovaginal candidiasis (VVC). However, the specific mechanism that makes it effective is still unclear. Recent studies have shown that in cases of VVC, neutrophils recruited to the vagina, influenced by heparan sulfate (HS), do not successfully engulf (). Instead, they release many inflammatory factors that cause damage to the vaginal mucosa. This study aims to understand the molecular mechanism by which the n-butanol extract of Pulsatilla decoction (BEPD) treats VVC through transcriptomics. High-performance liquid chromatography was used to identify the primary active components of BEPD. A VVC mouse model was induced using an estrogen-dependent method and the mice were treated daily with BEPD (20 mg/kg, 40 mg/kg, and 80 mg/kg) for seven days. The vaginal lavage fluid of the mice was analyzed for various experimental indices, including fungal morphology, fungal burden, degree of neutrophil infiltration, and cytokines. Various assessments were then performed on mouse vaginal tissues, including pathological assessment, immunohistochemistry, immunofluorescence, Western blot (WB), quantitative real-time PCR, and transcriptome assays. Our results showed that BEPD reduced vaginal redness and swelling, decreased white discharge, inhibited hyphae formation, reduced neutrophil infiltration and fungal burden, and attenuated vaginal tissue damage compared with the VVC model group. The high-dose BEPD group even restored the damaged vaginal tissue to normal levels. The medium- and high-dose groups of BEPD also significantly reduced the levels of IL-1β, IL-6, TNF-α, and LDH. Additionally, transcriptomic results showed that BEPD regulated several chemokine (CXCL1, CXCL3, and CXCL5) and S100 alarmin (S100A8 and S100A9) genes, suggesting that BEPD may treat VVC by affecting chemokine- and alarmin-mediated neutrophil chemotaxis. Finally, we verified that BEPD protects the vaginal mucosa of VVC mice by inhibiting neutrophil recruitment and chemotaxis in an animal model of VVC via the TLR4/MyD88/NF-κB pathway. This study provides further evidence to elucidate the mechanism of BEPD treatment of VVC.
PubMed: 38794163
DOI: 10.3390/ph17050594 -
Pharmaceuticals (Basel, Switzerland) Apr 2024Due to the increasing populations of anthelmintic-resistant gastrointestinal nematodes and as a consequence of the adverse effects of synthetic drugs, this study focuses...
Due to the increasing populations of anthelmintic-resistant gastrointestinal nematodes and as a consequence of the adverse effects of synthetic drugs, this study focuses on the search for secondary metabolites with nematocidal activity from the edible mushroom using The proton nuclear magnetic resonance (H-NMR) metabolomics. The highest activity was shown by the ethyl acetate fractions of mycelium (EC 290.8 µg/mL) and basidiomes (EC 282.7 µg/mL). Principal component analysis (PCA) and hierarchical data analysis (HCA) of the H-NMR metabolic profiles data showed that the ethanolic extracts, the ethyl acetate, butanol, and water fractions from mycelium have different metabolic profiles than those from basidiomes, while low polarity (hexane) fractions from both stages of fungal development show similar profiles. Orthogonal partial least squares discriminant analysis (OPLS-DA) allowed the identification of signals in the H-NMR metabolic profile associated with nematocidal activity. The signals yielded via OPLS-DA and bidimensional NMR analysis allowed the identification of uracil as a component in the ethyl acetate fraction from basidiomes, with an EC of 237.7 µg/mL. The results obtained showed that chemometric analyses of the H-NMR metabolic profiles represent a viable strategy for the identification of bioactive compounds from samples with complex chemical profiles.
PubMed: 38794150
DOI: 10.3390/ph17050580 -
Biology Apr 2024The use of organic compounds in different spheres of human activity is accompanied by their influx to and accumulation in the environment. The negative impact of those...
The use of organic compounds in different spheres of human activity is accompanied by their influx to and accumulation in the environment. The negative impact of those compounds can be one of the reasons for a decline in populations and biodiversity of aboveground invertebrates. Chemical compounds can potentially cause a variety of effects (attractant or repellent) on insects, including species of the Staphylinidae family. In a laboratory experiment, we identified repellent and attractant influence of 40 organic compounds and mixtures of compounds (acids, alcohols, ketones, phenols, aldehydes, aromatic carbohydrates solvents, and vehicle fuels) on Gravenhorst, 1802. The ambulatory responses of the males and females to the same chemical compounds most often varied. A strong repellent activity against both sexes of was caused by oleic acid, while hexane repelled the males. Acetic acid, 1-butanol, and ammonia solution were found to be strongly repellent against females. A moderate (average) repellent activity towards male was displayed by organic solvents and fuels, some alcohols (isopropanol, isoamyl alcohol, methanol, ethanol), acids (acetic, formic acid), aromatic carbohydrates (toluene, xylene), and formaldehyde. Female in general were less sensitive to the odors. The list of repellents with moderate activity against the females was much shorter: solvent 646, white spirit, toluene, isopropanol, isoamyl alcohol, citric and oxalic acids, and glycerol. Moderate attractant activity for was exhibited by some amino acids, alcohols, and fuel mixes: glycine and L-cysteine (for the males), and phenylalanine, methanol, and diesel fuel (for the females). The rest of the 40 chemical compounds we studied caused no ambulatory responses in . The difficulties we encountered in the interpretation of the results suggest a need for further experimental studies that would expand the knowledge of the chemoecology of insects.
PubMed: 38785775
DOI: 10.3390/biology13050294 -
Frontiers in Plant Science 2024Volatile organic compounds (VOCs) are responsible for the antagonistic activity exerted by different biological control agents (BCAs). In this study, VOCs produced by...
Volatile organic compounds (VOCs) are responsible for the antagonistic activity exerted by different biological control agents (BCAs). In this study, VOCs produced by strain 117-2b were tested against two kiwifruit fungal postharvest pathogens: and , through and assays. results demonstrated that 117-2b VOCs inhibit mycelial growth of and by 56% and 42.8% after 14 and 5 days of exposition, respectively. assay demonstrated significant inhibitory effects. VOCs used as a biofumigant treatment reduced skin-pitting symptoms disease severity by 28.5% and gray mold incidence by 66.6%, with respect to the untreated control. BCA volatiles were analyzed by solid-phase microextraction coupled with gas chromatography-mass spectrometry (SPME-GC/MS), and among the detected compounds, 1-butanol, 3-methyl and 1-nonene resulted as the most produced. Their efficacy as pure synthetic compounds was assayed against mycelial growth of fungal pathogens by different concentrations (0.34, 0.56, and 1.12 µL mL headspace). The effect of the application of VOCs as a biofumigant was also investigated as the expression level of seven defense-related genes of kiwifruit at different exposition times. The results indicated an enhancement of the expression of almost all the genes starting from 3 h of treatment. These results described characteristics and their potential as a promising method to adopt for protecting kiwifruit from postharvest diseases caused by and .
PubMed: 38779078
DOI: 10.3389/fpls.2024.1398014 -
RSC Advances May 2024Membrane separation has been shown to have significant potential in addressing the global shortage of clean water. Covalent organic frameworks (COFs) have gained...
Membrane separation has been shown to have significant potential in addressing the global shortage of clean water. Covalent organic frameworks (COFs) have gained significant attention in the field of membrane separation due to their structural stability and controllable pore size. Here, a modification of polyethersulfone ultrafiltration membranes with TA-assisted COFs is prepared by interfacial polymerization and co-deposition. Intriguingly, in comparison to the conventional COF synthesis method, the interfacial polymerization reaction used -butanol as the oil-phase monomer to prevent substrate corrosion. More importantly, the TA-assisted co-deposition not only introduces a large number of environmentally friendly hydrophilic groups to enhance the hydrophilicity of the membrane surface, but also the phenolic hydroxyl group contained in TA generates a quinone group upon oxidation. This group can undergo a Michael addition reaction with the amine group, followed by interfacial polymerization to regulate the COFs pore size. Consequently, the optimized membrane exhibited a high permeation flux of 122.03 L m h bar without altering the pore size structure of the original membranes and demonstrated separation performance for various dyes (Mw: 300-1300 g mol), with a retention rate of over 98%. Despite multiple filtrations of methyl blue dye, the membrane prepared by simple rinsing still exhibited high retention rates (>98%) with exceptional stability and retention performance. The optimized membrane demonstrated good hydrophilicity and dye separation performance, indicated promising potential for dye separation applications.
PubMed: 38769964
DOI: 10.1039/d4ra02838d -
Crystal Growth & Design May 2024The dapsone/flavone cocrystal system served as a benchmark for both experimental and virtual screening methods. Expanding beyond this, two additional active...
The dapsone/flavone cocrystal system served as a benchmark for both experimental and virtual screening methods. Expanding beyond this, two additional active pharmaceutical ingredients (APIs), sulfanilamide and sulfaguanidine, structurally related to dapsone were chosen to investigate the impact of substituents on cocrystal formation. The experimental screening involved mechanochemical methods, slurry experiments, hot-melt extrusion, and the contact preparation method. The virtual screening focused on crystal structure prediction (CSP), molecular complementarity, hydrogen-bond propensity, and molecular electrostatic potentials. The CSP studies not only indicated that each of the three APIs should form cocrystals with flavone but also reproduced the known single- and multicomponent phases. Experimentally, dapsone/flavone cocrystals , , , and were reproduced, was identified as a nonstoichiometric hydrate, and a fifth cocrystal (), a -butanol solvate, was discovered. The cocrystal polymorphs and are enantiotripically related, and , exhibiting a different stoichiometric ratio, is enthalpically stabilized over the other cocrystals. For the sulfaguanidine/flavone system, two novel, enantiotripically related cocrystals were identified. The crystal structures of two cocrystals and a flavone polymorph were solved from powder X-ray diffraction data, and the stability of all cocrystals was assessed through differential scanning calorimetry and lattice energy calculations. Despite computational indications, a diverse array of cocrystallization techniques did not result in a sulfanilamide/flavone cocrystal. The driving force behind dapsone's tendency to cocrystallize with flavone can be attributed to the overall strength of flavone interactions in the cocrystals. For sulfaguanidine, the potential to form strong API···API and API···coformer interactions in the cocrystal is a contributing factor. Furthermore, flavone was found to be trimorphic.
PubMed: 38766642
DOI: 10.1021/acs.cgd.4c00293 -
Saudi Pharmaceutical Journal : SPJ :... Jun 2024According to the International Diabetes Federation, there will be 578 million individuals worldwide with diabetes by 2030 and 700 million by 2045. One of the promising...
BACKGROUND
According to the International Diabetes Federation, there will be 578 million individuals worldwide with diabetes by 2030 and 700 million by 2045. One of the promising drug targets to fight diabetes is α-glucosidase (AG), and its inhibitors may be used to manage diabetes by reducing the breakdown of complex carbohydrates into simple sugars. The study aims to identify and validate potential AG inhibitors in natural sources to combat diabetes.
METHODS
Computational techniques such as structure-based virtual screening and molecular dyncamic simulation were employed to predict potential AG inhibitors from compounds of . Finally, in silico results were validated by analysis using -butanol fraction of crude methanol extracts.
RESULTS
The XP glide scores of top seven hits OI_13, OI_66, OI_16, OI_44, OI_43, OI_20, OI_78 and acarbose were -14.261, -13.475, -13.074, -13.045, -12.978, -12.659, -12.354 and -12.296 kcal/mol, respectively. These hits demonstrated excellent binding affinity towards AG, surpassing the known AG inhibitor acarbose. The MM-GBSA dG binding energies of OI_13, OI_66, and acarbose were -69.093, -62.950, and -53.055 kcal/mol, respectively. Most of the top hits were glycosides, indicating that active compounds lie in the -butanol fraction of the extract. The IC value for AG inhibition by -butanol fraction was 248.1 μg/ml, and for that of pure acarbose it was 89.16 μg/ml. The predicted oral absorption rate in humans for the top seven hits was low like acarbose, which favors the use of these compounds as anti-diabetes in the small intestine.
CONCLUSION
In summary, the study provides promising insights into the use of natural compounds derived from as potential AG inhibitors to manage diabetes. However, further research, including clinical trials and pharmacological studies, would be necessary to validate their efficacy and safety before clinical use.
PubMed: 38766274
DOI: 10.1016/j.jsps.2024.102095 -
Heliyon May 2024Residual pharmaceuticals in the environment are a class of emerging pollutants that endanger human health. Tetracycline's family, including oxytetracycline (OTC), are...
Residual pharmaceuticals in the environment are a class of emerging pollutants that endanger human health. Tetracycline's family, including oxytetracycline (OTC), are known as one of the most produced and consumed antibiotics worldwide. The g-CN/FeO nanocomposite with high level of catalytic efficiency features suitable performance in water/wastewater treatment. Therefore, in the present study, this nanocomposite was applied to remove the oxytetracycline from the aqueous environment. In this research study, g-CN/FeO nanocomposite (serving as catalyst) was initially synthesized by a simple hydrothermal method. The effect of key operating parameters such as initial solution pH, dose of catalyst, contact time and initial concentration of OTC in aqueous solutions was investigated under UV irradiation. In addition, COD and TOC tests, the kinetics and the effect of radical scavengers on the applied photocatalytic process were all evaluated. The maximum removal efficiency of OTC (99.8 %) was achieved under the following conditions: neutral solution pH 7; catalyst dose, 0.7 g/L; and an initial OTC concentration of 5 mg/L. The data showed that the kinetics of the reaction followed the first-order model with R of 0.9755. The respective COD and TOC efficiency values for the applied photocatalytic process were determined to be 87 and 59 %, respectively. In addition, the lowest removal efficiency of OTC was observed in the presence of tert-butanol radical scavengers, and OH radicals played a main role. The UV/g-CN/FeO photocatalytic process proved to be highly efficient for the removal of OTC antibiotic and could be potentially applied for the removal of other pollutants from aqueous solutions.
PubMed: 38765134
DOI: 10.1016/j.heliyon.2024.e30604 -
Food Research International (Ottawa,... Jul 2024Nowadays, it is important to monitor the freshness of meat during storage to protect consumers' health. Volatile organic compounds (VOCs) are responsible for odour and...
A new HS-SPME-GC-MS analytical method to identify and quantify compounds responsible for changes in the volatile profile in five types of meat products during aerobic storage at 4 °C.
Nowadays, it is important to monitor the freshness of meat during storage to protect consumers' health. Volatile organic compounds (VOCs) are responsible for odour and taste of food, and they give an indication about meat quality and freshness. This study had the aim to seek and select potential new markers of meat spoilage through a semi-quantitative analysis in five types of meat (beef, raw and baked ham, pork sausage and chicken) and then to develop a new quantitative analytical method to detect and quantify potential markers on five types of meat simultaneously. Firstly, a new headspace-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) method was developed to evaluate the volatile profile of five types of meat, preserved at 4 °C for 5 days. Among the 40 compounds identified, 15 were chosen and selected as potential shelf-life markers on the basis of their presence in most of meat samples or/and for their constant increasing/decreasing trend within the sample. Afterwards, a quantitative HS-SPME-GC-MS analytical method was developed to confirm which VOCs can be considered markers of shelf-life for these meat products, stored at 4 °C for 12 days. Some of the compounds analyzed attracted attention as they can be considered markers of shelf-life for at least 4 types of meat: 1-butanol, 3-methylbutanol, 1-hexanol, 2-nonanone, nonanal, 1-octen-3-ol and linalool. In conclusion, in this study a new quantitative HS-SPME-GC-MS analytical method to quantity 15 VOCs in five types of meat was developed and it was demonstrated that some of the compounds quantified can be considered markers of shelf-life for some of the meat products analyzed.
Topics: Volatile Organic Compounds; Gas Chromatography-Mass Spectrometry; Solid Phase Microextraction; Meat Products; Food Storage; Animals; Swine; Odorants; Cattle; Aldehydes; Chickens; Ketones; Pentanols; Acyclic Monoterpenes; Octanols
PubMed: 38763656
DOI: 10.1016/j.foodres.2024.114398