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1.
Heliyon ; 10(11): e31957, 2024 Jun 15.
Artículo en Inglés | MEDLINE | ID: mdl-38867975

RESUMEN

Background: Lactic acid bacteria (LAB) are utilized as a starter culture in the manufacturing of fermented dairy items, as a preservative for various food products, and as a probiotic. In our country, some research has been carried out, even if LAB plays a principal role in food preservation and improves the texture and taste of fermented foods, that is why we tried to evaluate their probiotic effect. The objective of this research was to determine the antibacterial activity of Lactococcus lactis (L. lactis) against Staphylococcus aureus (S. aureus) ATCC 29213, investigate their antioxidant activity, and characterize their sensitivity against 18 antibiotics. Methods: A total of 23 LAB (L. lactis subsp. cremoris, L. lactis subsp. Lactis diacetylactis, L. lactis subsp. lactis) were isolated from cow's raw milk. The antibacterial activity was performed using two techniques, competition for nutrients and a technique utilizing components nature, using the disk diffusion method. The sensitivity of the studied LAB to different antibiotics was tested on Man rogosa sharp (MRS) agar using commercial antibiotic disks. All strains of LAB were examined for their antioxidant activity. The antioxidant activity of L. lactis was tested by 2,2-diphenyl-1 picrylhydrazyl (DPPH). Results: The results showed that the MRS medium was more adapted than Muller Hinton Agar (MHA) to investigate the antibacterial activity of L. lactis against S. aureus ATCC 29213. Also, L. lactis exhibited a notable degree of antibacterial activity against S. aureus ATCC 29213. L. Lactis subsp. Lactis displayed higher antibacterial activities, followed by L. lactis ssp. lactis biovar. diacetylactis, and lastly, L. lactis ssp. cremoris against S. aureus ATCC 29213. Lc 26 among all strains of L. lactis showed a high potential antibacterial activity reaching 40 ± 3 mm against S. aureus ATCC 29213. All strains of L. lactis showed a slightly moderate antioxidant activity (10.56 ± 1.28%-26.29 ± 0.05 %). The results of the antibiotic resistance test indicate that all strains of L. lactis were resistant to cefotaxime, sulfamethoxazole-trimethoprim, and streptomycin and were sensitive to Ampicillin, Amoxicillin, Penicillin G, Teicoplanin, Vancomycin, Gentamicin 500, Tetracycline, and Chloramphenicol. These test results indicate that this strain falls within the criteria of not posing any harmful effects on human health. The important antibacterial properties recorded for all L. Lactis strains were derived from the production of antibacterial active metabolites, such as protein, diacetyl, hydrogen peroxide, and lactic acid, together with the fight for nutrients. Conclusion: This study suggests that the strains of L. lactis could be added as an antibacterial agent against S. aureus ATCC 29213 and can provide an important nutritional property for their antioxidant potential.

2.
Molecules ; 29(5)2024 Feb 23.
Artículo en Inglés | MEDLINE | ID: mdl-38474497

RESUMEN

This study evaluates the corrosion inhibition capabilities of two novel hydrazone derivatives, (E)-2-(5-methoxy-2-methyl-1H-indol-3-yl)-N'-(4-methylbenzylidene)acetohydrazide (MeHDZ) and (E)-N'-benzylidene-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetohydrazide (HHDZ), on carbon steel in a 15 wt.% HCl solution. A comprehensive suite of analytical techniques, including gravimetric analysis, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and scanning electron microscopy (SEM), demonstrates their significant inhibition efficiency. At an optimal concentration of 5 × 10-3 mol/L, MeHDZ and HHDZ achieve remarkable inhibition efficiencies of 98% and 94%, respectively. EIS measurements reveal a dramatic reduction in effective double-layer capacitance (from 236.2 to 52.8 and 75.3 µF/cm2), strongly suggesting inhibitor adsorption on the steel surface. This effect is further corroborated by an increase in polarization resistance and a significant decrease in corrosion current density at optimal concentrations. Moreover, these inhibitors demonstrate sustained corrosion mitigation over extended exposure durations and maintain effectiveness even under elevated temperatures, highlighting their potential for diverse operational conditions. The adsorption process of these inhibitors aligns well with the Langmuir adsorption isotherm, implying physicochemical interactions at the carbon steel surface. Density functional tight-binding (DFTB) calculations and molecular dynamics simulations provide insights into the inhibitor-surface interaction mechanism, further elucidating the potential of these hydrazone derivatives as highly effective corrosion inhibitors in acidic environments.

3.
Curr Res Toxicol ; 6: 100159, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38455759

RESUMEN

The global surge in Alzheimer's disease poses a significant public health concern. In response, we study the efficacy of carnosic acid and related abietane-type diterpenes extracted from rosemary as acetylcholinesterase (AChE) inhibitors. Our analyses, using in silico techniques, encompassed all the compounds within this extract. Through molecular docking, we explored how these compounds interact with the active site of the AChE protein. The docking scores, ranging from -5.560 Kcal/mol to -7.270 Kcal/mol, indicate robust binding affinities. Assessment of the ADME/T (Adsorption, Distribution, Metabolism, Excretion, and Toxicity) properties and pharmacokinetics of these compounds reveal favorable profiles for all the tested substances. These encouraging results suggest the potential of these compounds as candidates for further development to prevent and/or treat Alzheimer's disease. Among these compounds, we find rosmanol as the most likely candidate for further research and clinical trials to validate their efficacy.

4.
Mar Drugs ; 21(7)2023 Jun 24.
Artículo en Inglés | MEDLINE | ID: mdl-37504903

RESUMEN

In this study, a comparison was made of the chemical makeup of different extracts obtained from Gracilaria bursa-pastoris, a type of red seaweed that was gathered from the Nador lagoon situated in the northern part of Morocco. Additionally, their anti-diabetic and antioxidant properties were investigated. The application of GC-MS technology to analyze the fatty acid content of the samples revealed that linoleic acid and eicosenoic acid were the most abundant unsaturated fatty acids across all samples, with palmitic acid and oleic acid following in frequency. The HPLC analysis indicated that ascorbic and kojic acids were the most prevalent phenolic compounds, while apigenin was the most common flavonoid molecule. The aqueous extract exhibited significant levels of polyphenols and flavonoids, registering values of 381.31 ± 0.33 mg GAE/g and 201.80 ± 0.21 mg QE/g, respectively. Furthermore, this particular extract demonstrated a remarkable ability to scavenge DPPH radicals, as evidenced by its IC50 value of 0.17 ± 0.67 mg/mL. In addition, the methanolic extract was found to possess antioxidant properties, as evidenced by its ability to prevent ß-carotene discoloration, with an IC50 ranging from 0.062 ± 0.02 mg/mL to 0.070 ± 0.06 mg/mL. In vitro study showed that all extracts significantly inhibited the enzymatic activity of α-amylase and α-glucosidase. Finally, molecular docking models were applied to assess the interaction between the primary phytochemicals identified in G. bursa-pastoris extracts and the human pancreatic α-amylase and α-glucosidase enzymes. The findings suggest that these extracts contain bioactive substances capable of reducing enzyme activity more effectively than the commercially available drug acarbose.


Asunto(s)
Antioxidantes , Gracilaria , Humanos , Antioxidantes/química , Extractos Vegetales/farmacología , Extractos Vegetales/química , alfa-Glucosidasas , Simulación del Acoplamiento Molecular , Fitoquímicos/farmacología , Fitoquímicos/química
5.
Foods ; 12(11)2023 May 31.
Artículo en Inglés | MEDLINE | ID: mdl-37297464

RESUMEN

Canola, Brassica napus L., is a major oilseed crop that has various uses in the food, feed, and industrial sectors. It is one of the most widely produced and consumed oilseeds in the world because of its high oil content and favorable fatty acid composition. Canola grains and their derived products, such as canola oil, meal, flour, and bakery products, have a high potential for food applications as they offer various nutritional and functional benefits. However, they are affected by various factors during the production cycle, post-harvest processing, and storage. These factors may compromise their quality and quantity by affecting their chemical composition, physical properties, functional characteristics, and sensory attributes. Therefore, it is important to optimize the production and processing methods of canola grains and their derived products to ensure their safety, stability, and suitability for different food applications. This literature review provides a comprehensive overview of how these factors affect the quality of canola grains and their derived products. The review also suggests future research needs and challenges for enhancing canola quality and its utilization in food.

6.
Life (Basel) ; 13(6)2023 Jun 14.
Artículo en Inglés | MEDLINE | ID: mdl-37374175

RESUMEN

The mastic tree, scientifically known as Pistacia lentiscus, which belongs to the Anacardiaceae family, was used in this study. The aim of this research was to analyze the chemical composition of this plant and assess its antioxidant and antibacterial properties using both laboratory experiments and computer simulations through molecular docking, a method that predicts the binding strength of a small molecule to a protein. The soxhlet method (SE) was employed to extract substances from the leaves of P. lentiscus found in the eastern region of Morocco. Hexane and methanol were the solvents used for the extraction process. The n-hexane extract was subjected to gas chromatography-mass spectrometry (GC/MS) to identify its fatty acid content. The methanolic extract underwent high-performance liquid chromatography with a diode-array detector (HPLC-DAD) to determine the presence of phenolic compounds. Antioxidant activity was assessed using the DPPH spectrophotometric test. The findings revealed that the main components in the n-hexane extract were linoleic acid (40.97 ± 0.33%), oleic acid (23.69 ± 0.12%), and palmitic acid (22.83 ± 0.10%). Catechin (37.05 ± 0.15%) was identified as the predominant compound in the methanolic extract through HPLC analysis. The methanolic extract exhibited significant DPPH radical scavenging, with an IC50 value of 0.26 ± 0.14 mg/mL. The antibacterial activity was tested against Staphylococcus aureus, Listeria innocua, and Escherichia coli, while the antifungal activity was evaluated against Geotrichum candidum and Rhodotorula glutinis. The P. lentiscus extract demonstrated notable antimicrobial effects. Additionally, apart from molecular docking, other important factors, such as drug similarity, drug metabolism and distribution within the body, potential adverse effects, and impact on bodily systems, were considered for the substances derived from P. lentiscus. Scientific algorithms, such as Prediction of Activity Spectra for Substances (PASS), Absorption, Distribution, Metabolism, Excretion (ADME), and Pro-Tox II, were utilized for this assessment. The results obtained from this research support the traditional medicinal usage of P. lentiscus and suggest its potential for drug development.

7.
Heliyon ; 9(5): e15857, 2023 May.
Artículo en Inglés | MEDLINE | ID: mdl-37234644

RESUMEN

In this research paper, we analyzed the bibliographic data of the research publications issued by the Moroccan Journal of Chemistry between 2013 and 2021. As an open-access country-based research journal with a narrow area of interest and international online exposure, it will be interesting to see how it affects the local chemical research community through the comparison of the characteristics of the research outputs of the journal as retrieved from the Directory of Open Access Journals (DOAJ) with the features of Moroccan chemical research from 2014 to 2021 in the Web of Science Core Collection (WoS). In this context, we generated scientometric networks using Gephi, a tool for large-scale data visualization, to reveal the patterns of the publications in the Moroccan Journal of Chemistry. When performing our analysis, we found a significant alignment between the research topics featured in the Moroccan Journal of Chemistry and the main research areas of the Moroccan chemical scholarly outputs, particularly Multidisciplinary Chemistry, Physical Chemistry, and Analytical Chemistry. We also identified that the Moroccan Journal of Chemistry functions as an incubator for establishing new traditions of research collaboration between Moroccan institutions and target nations such as Asian and African countries. As well, it is clear that the Moroccan Journal of Chemistry is an interesting venue for the most productive chemical researchers in Morocco for sharing preliminary research findings and discussing trendy topics.

8.
Plants (Basel) ; 12(7)2023 Apr 06.
Artículo en Inglés | MEDLINE | ID: mdl-37050197

RESUMEN

The purpose of this study was to determine the chemical composition of the essential oil of Lavandula officinalis from Morocco using the GC-MS technique and assess the antibacterial effects against seven pathogenic bacteria strains isolated from the food origins of Salmonella infantis, Salmonella kentucky, Salmonella newport, three serotypes of Escherichia coli (O114H8K11, O127K88ac, O127H40K11) and Klebsiella. Tests of sensitivity were carried out on a solid surface using the Disc Diffusion Method. Results showed that E. coli and S.newport were sensitive to Lavandula officinalis essential oil. Minimum inhibitory concentrations (MIC) were determined using the method of agar dilution. The antibacterial results showed that four strains (three serotypes of E. coli, and S. newport) were remarkedly sensitive to Lavandula officinalis essential oil, giving MIC values of 88.7 µg/mL and 177.5 µg/mL. The molecular docking of the main oil products with the E. coli target protein 1VLY, showed that eucalyptol and linalyl acetate bind efficiently with the active site of the target protein. In particular, eucalyptol showed a higher activity than gentamicin used as positive control with a binding energy of -5.72 kcal/mol and -5.55 kcal/mol, respectively.

9.
Int J Biol Macromol ; 239: 124328, 2023 Jun 01.
Artículo en Inglés | MEDLINE | ID: mdl-37019199

RESUMEN

Contamination in water is due to various environmental pollutants from natural and anthropogen activities. To remove toxic metals from contaminated water, we developed a novel adsorbent in foam form based on an olive industry waste material. The foam synthesis involved oxidation of cellulose extracted from the waste to dialdehyde, functionalization of the cellulose dialdehyde with an amino acid group, reacting the functionalized cellulose with hexamethylene diisocyanate and p-phenylene diisocyanate to produce the target polyurethanes Cell-F-HMDIC and Cell-F-PDIC, respectively. The optimum condition for lead(II) adsorption by Cell-F-HMDIC and Cell-F-PDIC were determined. The foams show the ability to quantitatively remove most of metal ions present in a real sample of sewage. The kinetic and thermodynamic studies confirmed a spontaneous metal ion binding to the foams with a second pseudo-order adsorption rate. The adsorption study revealed it obeys the Langmuir isotherm model. The experimental Qe values of both foams Cell-F-PDIC and Cell-F-HMDIC were 2.1929 and 2.0345 mg/g, respectively. Monte Carlo (MC) and Dynamic (MD) and simulations showed excellent affinity of both foams for lead ions with high adsorption negative energy value indicating vigorous interactions of Pb(II) with the adsorbent surface. The results indicate the usefulness of the developed foam in commercial applications. ENVIRONMENTAL IMPLICATION: Elimination of metal ions from contaminated environments is important for a number of reasons. They are toxic to humans via interaction with biomolecules, resulting in disruption of the metabolism and biological activities of many proteins. They are toxic to plants. Industrial effluents and/or wastewater discharged from production processes, contain a considerable amount of metal ions. In this work, the use of naturally produced materials, such as olive waste biomass, as adsorbents for environmental remediation has received great attention. This biomass represents unused resources and presents serious disposal problems. We demonstrated that such materials are capable of selectively adsorbing metal ions.


Asunto(s)
Metales Pesados , Contaminantes Químicos del Agua , Purificación del Agua , Humanos , Celulosa/química , Poliuretanos , Aminoácidos , Metales , Purificación del Agua/métodos , Iones , Agua , Adsorción , Contaminantes Químicos del Agua/química , Cinética , Concentración de Iones de Hidrógeno
10.
Polymers (Basel) ; 15(4)2023 Feb 04.
Artículo en Inglés | MEDLINE | ID: mdl-36850079

RESUMEN

In this work, we present a process for converting olive industry solid waste (OISW) into a value-added material with ionic receptors for use in the removal of toxic metal ions from wastewater. This 3D polymer is a promising adsorbent for large-scale application, since it is a low-cost material made from agricultural waste and showed exceptional performance. The synthesis of the network polymer involved the carboxymethylation of OISW and curing of the carboxymethylated OISW at an elevated temperature to promote the formation of ester linkages between OISW's components. FT-IR, atomic force microscopy, and thermal analysis were performed on the crosslinked product. The adsorption efficiency of the crosslinked carboxymethylated OISW toward Pb(II), Cu(II), and other toxic metal ions present in sewage was evaluated as a function of adsorbent dose, temperature, pH, time, and initial metal ion. The percentage removal of about 20 metal ions present in a sewage sample collected from a sewer plant located in the Palestinian Territories was determined. The adsorption efficiency did not drop even after six cycles of use. The kinetic study showed that the adsorption process follows the Langmuir isotherm model and the second-order adsorption rate. The experimental Qe values of 13.91 and 13.71 mg/g were obtained for Pb(II) and Cu(II) removal, respectively. The thermodynamic results confirm the spontaneous metal bonding to the receptor sites of the crosslinked carboxymethylated OISW.

11.
Polymers (Basel) ; 16(1)2023 Dec 27.
Artículo en Inglés | MEDLINE | ID: mdl-38201750

RESUMEN

This paper presents a novel cheminformatics approach for the design and synthesis of hydroxyapatite/collagen nanocomposites, which have potential biomedical applications in tissue engineering, drug delivery, and orthopedic and dental implants. The nanocomposites are synthesized by the co-precipitation method with different ratios of hydroxyapatite and collagen. Their mechanical, biological, and degradation properties are analyzed using various experimental and computational techniques. Attenuated total reflection-Fourier-transform infrared spectroscopy, thermogravimetric analysis, and X-ray diffraction unveil the low crystallinity and nanoscale particle size of hydroxyapatite (22.62 nm) and hydroxyapatite/collagen composites (14.81 nm). These findings are substantiated by scanning electron microscopy with energy-dispersive X-ray spectroscopy, confirming the Ca/P ratio between 1.65 and 1.53 and attesting to the formation of non-stoichiometric apatites in all samples, further validated by molecular simulation. The antimicrobial activity of the nanocomposites is evaluated in vitro against several bacterial and fungal strains, demonstrating their medical potential. Additionally, in silico analyses are performed to predict the absorption, distribution, metabolism, and excretion properties and the bioavailability of the collagen samples. This study paves the way for the development of novel biomaterials using chemoinformatics tools and methods, facilitating the optimization of design and synthesis parameters, as well as the prediction of biological outcomes. Future research directions should encompass the investigation of in vivo biocompatibility and bioactivity of the nanocomposites, while exploring further applications and functionalities of these innovative materials.

12.
Plants (Basel) ; 13(1)2023 Dec 27.
Artículo en Inglés | MEDLINE | ID: mdl-38202397

RESUMEN

Rosmarinus officinalis L. compounds, especially its main polyphenolic compounds, carnosic acid (CA) and rosmarinic acid (RA), influence various facets of cancer biology, making them valuable assets in the ongoing fight against cancer. These two secondary metabolites exhibit formidable antioxidant properties that are a pivotal contributor against the development of cancer. Their antitumor effect has been related to diverse mechanisms. In the case of CA, it has the capacity to induce cell death of cancer cells through the rise in ROS levels within the cells, the inhibition of protein kinase AKT, the activation of autophagy-related genes (ATG) and the disrupt mitochondrial membrane potential. Regarding RA, its antitumor actions encompass apoptosis induction through caspase activation, the inhibition of cell proliferation by interrupting cell cycle progression and epigenetic regulation, antioxidative stress-induced DNA damage, and interference with angiogenesis to curtail tumor growth. To understand the molecular interaction between rosemary compounds (CA and RA) and a protein that is involved in cancer and inflammation, S100A8, we have performed a series of molecular docking analyses using the available three-dimensional structures (PDBID: 1IRJ, 1MR8, and 4GGF). The ligands showed different binding intensities in the active sites with the protein target molecules, except for CA with the 1MR8 protein.

13.
Molecules ; 29(1)2023 Dec 22.
Artículo en Inglés | MEDLINE | ID: mdl-38202676

RESUMEN

Cannabis is considered (Cannabis sativa L.) a sacred herb in many countries and is vastly employed in traditional medicine to remedy numerous diseases, such as diabetes. This research investigates the chemical composition of the aqueous extracts from Cannabis sativa L. seeds. Furthermore, the impact of these extracts on pancreatic α-amylase and lipase, and intestinal α-glucosidase enzymes is evaluated, as well as their antihyperglycemic effect. Analysis of the chemical composition of the aqueous extract was conducted using high-performance liquid chromatography with a photodiode array detector (HPLC-DAD). In contrast, the ethanol, hexanic, dichloromethane, and aqueous extract compositions have been established. Additionally, the inhibitory effects of ethanolic, dichloromethane, and aqueous extracts on pancreatic α-amylase and lipase, and intestinal α-glucosidase activities were evaluated in vitro and in vivo. The results of HPLC analysis indicate that the most abundant phenolic compound in the aqueous cannabis seed extract is 3-hydroxycinnamic acid, followed by 4-hydroxybenzoic acid and rutin acid. Moreover, administration of ethanolic and aqueous extracts at a dose of 150 mg/Kg significantly suppressed postprandial hyperglycemia compared to the control group; the ethanolic, dichloromethane, and aqueous extracts significantly inhibit pancreatic α-amylase and lipase, and intestinal α-glucosidase in vitro. The pancreatic α-amylase test exhibited an inhibition with IC50 values of 16.36 ± 1.24 µg/mL, 19.33 ± 1.40 µg/mL, 23.53 ± 1.70 µg/mL, and 17.06 ± 9.91 µg/mL for EAq, EDm, EET, and EHx, respectively. EET has the highest inhibitory capacity for intestinal α-glucosidase activity, with an IC50 of 32.23 ± 3.26 µg/mL. The extracts inhibit porcine pancreatic lipase activity, demonstrating their potential as lipase inhibitors. Specifically, at a concentration of 1 mg/mL, the highest inhibition rate (77%) was observed for EDm. To confirm these results, the inhibitory effect of these extracts on enzymes was tested in vivo. The oral intake of aqueous extract markedly reduced starch- and sucrose-induced hyperglycemia in healthy rats. Administration of the ethanolic extract at a specific dose of 150 mg/kg significantly reduced postprandial glycemia compared with the control group. It is, therefore, undeniable that cannabis extracts represent a promising option as a potentially effective treatment for type 2 diabetes.


Asunto(s)
Cannabis , Diabetes Mellitus Tipo 2 , Alucinógenos , Hiperglucemia , Animales , Ratas , Porcinos , Hipoglucemiantes/farmacología , alfa-Amilasas Pancreáticas , alfa-Glucosidasas , Diabetes Mellitus Tipo 2/tratamiento farmacológico , Cloruro de Metileno , Lipasa , Hiperglucemia/tratamiento farmacológico , Agonistas de Receptores de Cannabinoides , Etanol , Extractos Vegetales/farmacología
14.
Polymers (Basel) ; 14(11)2022 May 25.
Artículo en Inglés | MEDLINE | ID: mdl-35683819

RESUMEN

The aim of this study is to develop a new, efficient, and inexpensive natural-based adsorbent with high efficacy for the cationic dye methylene blue (MB). A natural-based nanocomposite based on hydroxyapatite (HAp) and hydroxypropyl methylcellulose (HPMC) was selected for this purpose. It was synthesized by the dissolution/reprecipitation method. A film with a homogeneous and smooth surface composed of nanoparticles was prepared from the nanocomposite. HPMC and HAp biopolymers were selected due to their compatibility, biodegradability, and non-toxicity. Total reflectance infrared spectroscopy (ATR-FTIR), scanning electron microscopy (SEM), and calorimetric/thermal gravimetric (DSC/TGA) analysis results revealed the existence of strong physical interaction between the composite components. Scanning electron microscopy (SEM) observations show a composite sheet with a homogenous and smooth surface, indicating excellent compatibility between HPMC and HAp in the composite. The nanocomposite was evaluated as an adsorbent for organic dyes in an aqueous solution. The effects of solution pH, initial MB concentration, composite concentration, and adsorption time on the adsorption efficiency were evaluated. The highest adsorption rate was seen as 52.0 mg of MB/g composite. The adsorption rate reached equilibrium in about 20 min. Fitting of the adsorption data to the Langmuir and Freundlich adsorption models was investigated. Results showed that the adsorption process follows the Langmuir isotherm model. The kinetic study results revealed that the adsorption process was pseudo-second-order. The herein composite is an excellent alternative for use as contemporary industrial-scale adsorbents.

15.
Molecules ; 27(9)2022 Apr 22.
Artículo en Inglés | MEDLINE | ID: mdl-35566050

RESUMEN

Bayoud disease affects date palms in North Africa and the Middle East, and many researchers have used various methods to fight it. One of those methods is the chemical use of synthetic compounds, which raises questions centred around the compounds and common features used to prepare targeted molecules. In this review, 100 compounds of tested small molecules, collected from 2002 to 2022 in Web of Sciences, were divided into ten different classes against the main cause of Bayoud disease pathogen Fusarium oxysporum f. sp. albedinis (F.o.a.) with structure-activity relationship (SAR) interpretations for pharmacophore site predictions as (δ-···Î´-), where 12 compounds are the most efficient (one compound from each group). The compounds, i.e., (Z)-1-(1.5-Dimethyl-1H-pyrazole-3-yl)-3-hydroxy but-2-en-1-one 7, (Z)-3-(phenyl)-1-(1,5-dimethyl-1H-pyrazole-3-yl)-3-hydroxyprop-2-en-1-one 23, (Z)-1-(1,5-Dimethyl-1H-pyrazole-3-yl)-3-hydroxy-3-(pyridine-2-yl)prop-2-en-1-one 29, and 2,3-bis-[(2-hydroxy-2-phenyl)ethenyl]-6-nitro-quinoxaline 61, have antifungal pharmacophore sites (δ-···Î´-) in common in N1---O4, whereas other compounds have only one δ- pharmacophore site pushed by the donor effect of the substituents on the phenyl rings. This specificity interferes in the biological activity against F.o.a. Further understanding of mechanistic drug-target interactions on this subject is currently underway.


Asunto(s)
Fusarium , Phoeniceae , Antifúngicos/química , Antifúngicos/farmacología , Pirazoles/farmacología
16.
Environ Sci Pollut Res Int ; 29(1): 158-166, 2022 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-34648165

RESUMEN

The present study focuses on the effect of temperature and extraction methods on the yields, chemical quality, fatty acids, and tocopherols of the oil extracted from the seeds of Opuntia ficus-indica, collected in the eastern region of Morocco. Our results revealed the effect of temperature that when we increase the temperature used, the yields also increase; the results also showed that this high temperature does not affect the physicochemical properties, fatty acids, and tocopherols. Thus, the results of this study revealed that the prickly pear is a rich source of oil; the obtained oil yields varied from 12.49%±0.09 for mechanical extraction, 11.46±0.10 for chemical extraction, and 10.52%±0.09 for maceration. The main fatty acids founded in Opuntia ficus-indica are linoleic acid 75.80%±0.10 (chemical), 74.07%±0.14 (maceration), and 71.59%±0.14 (mechanical) and palmitic acid 17.32%±0.02 (chemical), 22.419%±0.06 (maceration), and 26.58%±0.00 (mechanical); prickly pear oil could be classified as a linoleic acid. The physicochemical properties of Opuntia ficus-indica seed oils such as acid index mgKOH/g oil (4,376±0.10, 5.854±0.03, 5.667±0.07), saponification value mgKOH/g oil (181.12 ±0.18, 183.77±1.23, 179.08±3.45), and peroxide value 20milieq/Kg (5.75±0.08, 6±0.06, 5.97±0.04) for mechanical, chemical, and maceration extraction, respectively, density, and refractive index were all found to be in good accordance with quality criteria for both pure and fresh oils. Among the tocopherols found, a high value of γ-tocopherol was detected in mechanical extraction with 502.04±0.76 mg/kg, followed by chemical extraction and maceration with 430.12±0.61mg/kg and 315.47±0.96 mg/kg, respectively.


Asunto(s)
Opuntia , Ácidos Grasos , Marruecos , Aceites de Plantas , Temperatura , Tocoferoles
17.
Curr Drug Deliv ; 18(3): 334-349, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-33023446

RESUMEN

AIM: The synthesis of seven new antioxidant agents based on the combination of thiazole, pyridine, triazole and pyrazole moieties. The studies of their antioxidant activity using DPPH reduction method. The DFT analysis of the 7 ligands. The docking study was also investigated. The better binding affinity with α-cyclodextrin as best drug delivery system. BACKGROUND: The screening of new antioxidant compounds and find the good mechanism for binding sites, with correlating between experience and computer theory. OBJECTIVES: The DFT analysis of the 7 synthesized ligands.The docking study was also investigated by using the amino acids Ala167 and Arg172. The better binding affinity with α-cyclodextrin as best drug delivery system. METHODS: The studies of their antioxidant activity using DPPH reduction method. RESULTS: Chemistry: synthesis of 7 ligands by condensation reaction with 89% yield. Antioxidant activities using DPPH reduction with a good value IC50=13.05 ± 3.73 µg/ml. Using DFT (EHOMO and ELUMO) and Docking APX with the amino acids Ala167 and Arg172 compared to the ascorbic acid. Correlation between all these properties. α-cyclodextrin as best drug delivery system (better binding affinity than caffeic acid). CONCLUSION: For the drug delivery study, The ACD is best system for all the compounds due to the smallest cavity size which makes the binding affinities favorable and possible to prepare prospective nano-antioxidants.


Asunto(s)
Antioxidantes , Ascorbato Peroxidasas/química , Ciclodextrinas , Antioxidantes/farmacología , Ascorbato Peroxidasas/metabolismo , Sistemas de Liberación de Medicamentos , Simulación del Acoplamiento Molecular , Estudios Prospectivos , Relación Estructura-Actividad
18.
Mater Today Proc ; 31: S122-S129, 2020.
Artículo en Inglés | MEDLINE | ID: mdl-32837919

RESUMEN

N-heterocyclic carbenes are of central importance in many domains of chemistry such as organometallic, catalysis and bioinorganic. Their great importance is due to their ability to act as ligands with a large number of transition metals. These Metal-NHCs are used as catalysts in various organic transformations with good biological properties. A wide range of Metals - NHC has been found to be useful as a catalyst in various reactions using Ru, Pd, Ir, Au and Ag. This review examines the different classes of Metal - NHCs and their applications as effective catalysts in several types of organic processes, for example the formation of amide linkage, hydrogenation, isomerization, cycloisomerization, cyclopropanation, hydrosilylation, allylation and desallylation, enol-ester synthesis, heterocycle synthesis, C - C alkyne coupling.

19.
Environ Monit Assess ; 191(6): 405, 2019 May 29.
Artículo en Inglés | MEDLINE | ID: mdl-31144085

RESUMEN

The objective of this study is the determination of the chemical structure of nine phenolic molecules responsible for the phytotoxic action on the germination of the plant species "Trigonella foenum-graecum". The phytotoxic action was evaluated by calculating the germination index of the plant species for a period of 5 days of incubation. The analysis of the physicochemical properties of phenolic molecules shows that hydrophobicity is a key factor in phytotoxicity. The sublethal concentration varies as follows: hydroquinone (0.91 mM), 4-aminophenol (0.85 mM), phenol (0.75 mM), gallic acid (0.59 mM), caffeic acid (0.56 mM), 3,5-di-tert-butylcatechol (0,45 mM), quercetin (0.33 mM), oleuropein (0.3 mM), and catechol (0.13 mM). Phytotoxicity varies depending on the nature and position of the substituents on the aromatic ring. The reactivity of this type of molecule is partly linked to the presence of catechol function that can play the main role in phytotoxicity of the Fenugreek.


Asunto(s)
Contaminantes Ambientales/toxicidad , Germinación/efectos de los fármacos , Aceite de Oliva , Fenoles/toxicidad , Trigonella/efectos de los fármacos , Aguas Residuales/química , Monitoreo del Ambiente , Contaminantes Ambientales/química , Interacciones Hidrofóbicas e Hidrofílicas , Estructura Molecular , Fenoles/química , Semillas/efectos de los fármacos , Semillas/crecimiento & desarrollo , Relación Estructura-Actividad , Trigonella/crecimiento & desarrollo
20.
Int J Biol Macromol ; 119: 1311-1323, 2018 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-30075214

RESUMEN

The influence of chitosan on the copper corrosion in sulfide polluted synthetic seawater (SSW) containing 20 ppm of sulfide has been investigated for the first time. Potentiodynamic polarization measurements, electrochemical impedance spectroscopy at the open circuit potential and weight loss measurements were employed to assess the corrosion inhibition ability of chitosan. The impedance studies revealed that in the presence of chitosan at various concentrations, the charge transfer resistance increases. At a concentration of 800 ppm, chitosan exhibited a corrosion inhibition efficiency of 89% following physical adsorption. The influence of temperature and immersion time was studied in sulfide-contaminated synthetic seawater and significant inhibition was observed even after 90 days. SEM-EDS studies confirm the absence of the deterioration products on copper surface.


Asunto(s)
Quitosano/química , Cobre/química , Agua de Mar/química , Sulfuros/química , Corrosión , Propiedades de Superficie , Temperatura
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