Comprehensive phytochemical and toxicological analysis of Chenopodium ambrosioides (L.) fractions.

Chenopodium ambrosioides aerial parts have been historically employed in traditional medicine for addressing various ailments such as headaches, abdominal discomfort, joint issues, and respiratory disorders, alongside treatments for lice and warts. This study aimed to conduct a comprehensive phytochemical analysis of C. ambrosioides and assess the acute and subacute toxicity of oral treatments using fractions in preclinical trials. Spectrophotometric analysis via LC-MS/MS was used to characterize the plant's chemical composition. Acute toxicity evaluation followed Organisation for Economic Co-operation and Development code 42 guidelines, conducted on adult male and female Wistar strain mice. Subsequently, Swiss mice were divided into six groups for the subacute toxicity study, receiving oral doses of 200 mg/kg extracts and fractions for 28 days. Daily observations and biochemical analyses were performed, with LC-MS/MS revealing a diverse array of compounds including organic acids, flavonoids, phenolic acids, rutin, hesperidin, nicotiflorine, and fumaric acid. Results indicated no lethality or alterations in body weight in treated groups, though some organ weight changes were noted. Biochemical analyses demonstrated values within the normal range for all groups, suggesting that the treatments did not induce adverse effects. Acute and subacute treatments with fractions did not result in lethality or toxic alterations at therapeutic doses, implying the safety of the product at appropriate levels. This study underscores the potential of C. ambrosioides as a safe therapeutic option warranting further exploration.

Exploratory evaluation supported by experimental and modeling approaches of Inula viscosa root extract as a potent corrosion inhibitor for mild steel in a 1 M HCl solution.

The corrosion of metals poses a threat to the economy, the environment, and human health due to undesirable reactions and contaminated products. Corrosion inhibitors, including natural products, can play a key role in protecting metallic materials, especially under challenging conditions. In this study, the roots of the Inula viscosa plant were examined for their ability to act as corrosion inhibitors in a 1 M hydrochloric acid (HCl) solution. Different extracts of the plant were evaluated for their corrosion inhibition capacity in a 1 M HCl solution. The effectiveness of different plant extracts was assessed, including an aqueous extract, an ethanolic extract, and a combined water-ethanol extract. Compounds present in the roots of Inula viscosa were identified using high-performance liquid chromatography. The electrochemical properties of the extracts were studied using various techniques such as open circuit potential, electrochemical impedance spectroscopy, and potentiodynamic polarization. Additionally, surface analysis after immersion was performed using scanning electron microscopy. Electrochemical data revealed that Inula viscosa root (IVR) extracts acted as mixed-type corrosion inhibitors with pronounced cathodic characteristics. The inhibitory efficiency was closely related to the concentration of Inula viscosa (I. viscosa), showing a significant increase with higher concentrations. This resulted in a decrease in corrosion current and an increase in polarization resistance. Notably, inhibitory efficiency reached high levels, up to 97.7% in mixed extract which represents a mixture between water and ethanol. In our study, it was observed that the mixed extract (water + ethanol) allowed for a greater corrosion inhibition compared to the other solvents studied, 97.7%. Surface analyses confirmed the formation of an organic film layer on the steel surface, attributed to the bonding of functional groups and heteroatoms in I. viscosa components. Therefore, this study paves the way for the potential integration of I. viscosa as a promising corrosion inhibition material, offering durable protection against steel corrosion and opening avenues for various related applications.

Evaluation of the impact of two citrus plants on the variation of Panonychus citri (Acari: Tetranychidae) and beneficial phytoseiid mites.

The abundance of Panonychus citri McGregor 1916 (Acari: Tetranychidae) and its associated enemies (Euseius stipulatus Athias-Henriot, 1960; Typhlodromus sp.; Phytoseiulus persimilis Athias-Henriot, 1957) was studied on two 12-year-old citrus cultivars, specifically Clementine "Nules" (Citrus Clementina) and Valencia (Citrus sinensis), in the Gharb region of Morocco. Throughout the entire monitoring period in the Valencia late cultivar, the density of the spider mite P. citri on leaves was notably higher at 38.0% (n = 1,212 mobile forms). Predator P. persimilis exhibited a leaf occupancy of 25.0% (n = 812), followed by Typhlodromus sp. at 20.0% (n = 643). Conversely, the abundance of E. stipulatus was lower at 17.0% (n = 538). In the Nules variety, P. citri abundance recorded a higher percentage at 48.0% (n = 1,922). E. stipulatus emerged as the most abundant predator at 23.0% (n = 898), followed by P. persimilis with 16.0% (n = 639). Meanwhile, the population of Typlodromus sp. remained notably low at 13.0% (n = 498). Regarding the fluctuation of the different mites studied on the two cultivars across monitoring dates, the period from May 4 to June 1 was characterized by low temperatures and a diminished presence of mite populations (P. citri, E. stipulatus, Typhlodromus sp., and P. persimilis). However, from June 7 to June 19, characterized by high temperatures, a notable increase in the presence of mite populations was observed. As regards the effect of the variety on the different mites studied, the varietal impact was significant.

Influence of salinity, nitrogen and phosphorus concentrations on the physiological and biochemical characteristics of two Chlorophyceae isolated from Fez freshwater, Morocco.

Microalgae are widely exploited for numerous biotechnology applications, including biofuels. In this context, Chlamydomonas debaryana and Chlorococcum sp. were isolated from Fez freshwater (Morocco), and their growth and lipid and carbohydrate production were assessed at different concentrations of NaCl, NaNO3, and K2HPO4. The results indicate a small positive variation in growth parameters linked to nutrient enrichment, with no considerable variation in carbohydrate and lipid levels in both algae. Moreover, a negative variation was recorded at increased salinity and nutrient limitation, accompanied by lipid and carbohydrate accumulation. Chlorococcum sp. showed better adaptation to salt stress below 200 mM NaCl. Furthermore, its growth and biomass productivity were strongly reduced by nitrogen depletion, and its lipid production reached 47.64% DW at 3.52 mM NaNO3. As for Chlamydomonas debaryana, a substantial reduction in growth was induced by nutrient depletion, a maximal carbohydrate level was produced at less than 8.82 mM NaNO3 (40.59% DW). The effect of phosphorus was less significant. However, a concentration of 0.115 mM K2HPO4 increased lipid and carbohydrate content without compromising biomass productivity. The results suggest that growing the two Chlorophyceae under these conditions seems interesting for biofuel production, but the loss of biomass requires a more efficient strategy to maximize lipid and carbohydrate accumulation without loss of productivity.

Phytochemical, Antioxidant Activity, and Toxicity of Wild Medicinal Plant of Melitotus albus Extracts, In Vitro and In Silico Approaches.

Morocco is known for its high plant biodiversity, but many plants are poorly valorized. For this reason, this study aims to valorize the methanolic and aqueous extracts of Melitotus albus leaves by studying their antioxidant activity and toxicity. The extracts' antioxidant activity is assessed using the FRAP, DPPH, CAT, and ABTS methods. The chemical composition was determined using LC-MS analysis and evaluated using in silico studies. The results revealed that the total polyphenol content of the aqueous extract, 259.26 ± 7.79 (mg GAE/g), is higher than that of the methanolic extract, 131.41 ± 12.64 (mg GAE/g). The antioxidant activity by the methods of DPPH, ABTS, and phosphor molybdenum of aqueous extracts (0.087 ± 0.015, 0.014 ± 0.001 and 6.157 ± 1.050 mg eq vit C/g, respectively) is greater than that of methanolic extracts (0.107 ± 0.02, 0.167 ± 0.03, and 0.453 ± 0.014 mg eq vit C/g, respectively). The reducing power of iron (FRAP) shows that the methanolic extract has a greater reducing power than that of the aqueous extract with a low IC50 (0.011 ± 0.003 and 0.199 ± 0.016 mg/mL, respectively). The study of acute and subacute toxicity shows that the administration of the aqueous extract of M. albus at different doses increases the body weight of rats without modifying their general behavior. The M. albus extract had a 99.99% total phenolic content, as determined by LC-MS, consisting of 12 different components. The primary constituents of the extract are chlorogenic acid (43.68%), catechin/epicatechin (24.82%), quercetin-3-O-glucuronic acid (9.91%), naringin (7.64%), and p-hydroxybenzoic/salicylic acid (2.95%). The in-silico study showed that these compounds can passively permeate through the blood and have a beneficial effect on various organs of the body. Based on these results, M. albus can be used as a medicinal plant in phytotherapy, cosmetics, or as a dietary supplement. The bioactive compounds of these plants will require a lot of further effort in terms of isolation and characterization.

Impact of Climate Change on the Chemical Compositions and Antioxidant Activity of Mentha pulegium L.

A central position in Moroccan ethnobotany is held by the Mentha genus, serving as a vital reference for aromatic and medicinal plants within the Lamiaceae family. The profound importance of Mentha species in the daily lives of Moroccans is recognized, and the primary objective of this study is to assess the impact of rising temperatures and decreasing precipitation on the primary and secondary metabolites of Mentha pulegium under the following climatic conditions: sample 1, cultivated under standard temperature and precipitation conditions during the first year; sample 2, subjected to an 8 °C temperature increase and a 25% reduction in water supply; and sample 3, exposed to a 12 °C temperature rise and a 50% decrease in water availability. Phytochemical screening results reveal a progressive decline in primary metabolites from sample 1 to sample 3 due to the increase in temperature and decrease in precipitation. Conversely, a distinct trend is observed in secondary metabolites and the yield of essential oil, increasing from sample 1 to sample 2 as the temperature rises and precipitation decreases. Remarkably, in sample 3, the yield of essential oil decreases as climatic conditions further deteriorate. Additionally, GC analysis demonstrates that modifications in the chemical compositions of essential oils occur because of the disruption of climatic parameters, particularly in the major compounds. Similarly, changes in climatic parameters significantly influence antioxidant activity, with sample 2 exhibiting the highest activity, as reflected by an IC50 value (half-maximal inhibitory concentration) of 14,874.04 µg/mL, followed by the third sample at 8488.43 µg/mL, whereas the first sample exhibits the lowest activity at 4505.02 µg/mL. In summary, the complex relationship between climatic factors and the chemical composition of Mentha pulegium is highlighted by our experiment, emphasizing its implications for medicinal properties within an ecological context.

Exploring the Bioactive Compounds in Some Apple Vinegar Samples and Their Biological Activities.

Apple vinegar is highly recommended for nutrition due to its health benefits and bioactive components. However, the apple cultivar greatly influences the quality of the vinegar. In this research, our focus was on examining the impact of four different apple cultivars on the physicochemical attributes, chemical composition, as well as biological properties-including antidepressant and anti-inflammatory activities-of vinegar. Interestingly, the physicochemical properties of vinegar and the contents of acetic acid and polyphenols depend on the apple cultivars. HPLC chromatographic analysis showed that citric acid (820.62-193.63 mg/100 g) and gallic acid (285.70-54.40 µg/g) were mostly abundant in the vinegar samples. The in vivo results showed that administration of Golden Delicious apple vinegar (10 mL/kg) to adult Wistar rats reduced carrageenan-induced inflammation by 37.50%. The same vinegar sample exhibited a significant antidepressant effect by reducing the rats' immobility time by 31.07% in the forced swimming test. Due to its high acidity, Golden Delicious vinegar was found to be more effective against bacteria, particularly Bacillus subtilis and Candida albicans, resulting in a MIC value of 31.81 mg/mL. Furthermore, the antioxidant activity of various vinegar samples was found to be powerful, displaying optimal values of IC50 = 65.20 mg/mL, 85.83%, and 26.45 AAE/g in the DPPH, ß-carotene decolorization and TAC assays, respectively. In conclusion, the apple cultivars used in this study impact the chemical composition and biological activities of vinegar, which may help demonstrate the importance of raw material selection for the production of vinegar.

Papaver rhoeas L. stem and flower extracts: Anti-struvite, anti-inflammatory, analgesic, and antidepressant activities.

The Papaver rhoeas L. (P. rhoeas) plant, which belongs to the Papaveraceae family, is also used as food and is exploited to treat several health problems. The purpose of this research is to determine the anti-struvite, anti-inflammatory, analgesic, and antidepressant effects of the stem extract (SE) and flower extract (FE) of the plant P. rhoeas. We used polarizing microscopy and Fourier transform infrared spectrometry (FT-IR) to evaluate the anti-struvite effect of our plant. The edema approach induced by the carrageenan molecule was used to study the anti-inflammatory impact of our extracts. The analgesic test was determined by calculating the number of abdominal contractions induced by the intraperitoneal (IP) administration of acetic acid. To evaluate the antidepressant effect of our extracts, we used the forced swimming test (FST). According to the results of the secondary metabolite extraction, both extracts contained high contents of secondary metabolites, while the results of the screening test showed that flavonoids, alkaloids, phenols, tannins, coumarins, saponins, and terpenoids were present. The result of struvite crystallization inhibition observed by polarizing microscopy and FT-IR shows the inhibition of struvite crystal aggregation by SE by decreasing the amount and size of crystals in a manner similar to cystone. The results of anti-inflammatory activity show maximum inhibition of edema after six hours of carrageenan injection in rats (T6) for all extracts, with a maximum value of 86.36% for SE at the dose of 200 mg/kg. Regarding the analgesic effect of our plant, the lowest number of abdominal contractions was observed in rats treated with SE at a dose of 400 mg/kg. The FST results show that the lowest immobilization time was observed in rats treated with FE at a dose of 400 mg/kg. The results obtained show that the flowers and stems of P. rhoeas can constitute a rich source of bioactive molecules with potential pharmaceutical applications.

An in-silico investigation based on molecular simulations of novel and potential brain-penetrant GluN2B NMDA receptor antagonists as anti-stroke therapeutic agents.

GluN2B-induced activation of NMDA receptors plays a key function in central nervous system (CNS) disorders, including Parkinson, Alzheimer, and stroke, as it is strongly involved in excitotoxicity, which makes selective NMDA receptor antagonists one of the potential therapeutic agents for the treatment of neurodegenerative diseases, especially stroke. The present study aims to examine a structural family of thirty brain-penetrating GluN2B N-methyl-D-aspartate (NMDA) receptor antagonists, using virtual computer-assisted drug design (CADD) to discover highly candidate drugs for ischemic strokes. Initially, the physicochemical and ADMET pharmacokinetic properties confirmed that C13 and C22 compounds were predicted as non-toxic inhibitors of CYP2D6 and CYP3A4 cytochromes, with human intestinal absorption (HIA) exceeding 90%, and designed to be as efficient central nervous system (CNS) agents due to the highest probability to cross the blood-brain barrier (BBB). Compared to ifenprodil, a co-crystallized ligand complexed with the transport protein encoded as 3QEL.pdb, we have noticed that C13 and C22 chemical compounds were defined by good ADME-Toxicity profiles, meeting Lipinski, Veber, Egan, Ghose, and Muegge rules. The molecular docking results indicated that C22 and C13 ligands react specifically with the amino acid residues of the NMDA receptor subunit GluN1 and GluN2B. These intermolecular interactions produced between the candidate drugs and the targeted protein in the B chain remain stable over 200 nanoseconds of molecular dynamics simulation time. In conclusion, C22 and C13 ligands are highly recommended as anti-stroke therapeutic drugs due to their safety and molecular stability towards NMDA receptors.Communicated by Ramaswamy H. Sarma.

When to discharge patients following a neuronavigation-assisted brain biopsy for supratentorial lesion? A single-center experience.

OBJECTIVE: Most brain biopsies are performed using the frame-based stereotactic technique and several studies describe the time taken and rate of complications, often allowing an early discharge. In comparison, neuronavigation-assisted biopsies are performed under general anesthesia and their complications have been poorly described. We examined the complication rate and determined which patients will worsen clinically. METHODS: All adults who underwent a neuronavigation-assisted brain biopsy for a supratentorial lesion from Jan, 2015, to Jan, 2021, in the Neurosurgical Department of the University Hospital Center of Bordeaux, France, were analyzed retrospectively in accordance with the Strengthening the Reporting of Observational studies in Epidemiology (STROBE) statement. The primary outcome of interest was short-term (7 days) clinical deterioration. The secondary outcome of interest was the complication rate. RESULTS: The study included 240 patients. The median postoperative Glasgow score was 15. Thirty patients (12.6 %) showed acute postoperative clinical worsening, including 14 (5.8 %) with permanent neurological worsening. The median delay was 22 h after the intervention. We examined several clinical combinations that allowed early postoperative discharge. A preoperative Glasgow prognostic score of 15, Charlson Comorbidity Index ≤ 3, preoperative World Health Organization Performance Status ≤ 1, and no preoperative anticoagulation or antiplatelet treatment predicted postoperative worsening (negative predictive value, 96.3 %). CONCLUSION: Optical neuronavigation-assisted brain biopsies might require longer postoperative observation than frame-based biopsies. Based on strict preoperative clinical criteria, we consider to plan postoperative observation for 24 h a sufficient hospital stay for patients who undergo these brain biopsies.

Potential of carvacrol as plant growth-promotor and green fungicide against fusarium wilt disease of perennial ryegrass.

Perennial ryegrass (Lolium perenne L.) is a valuable forage and soil stabilisation crop. Perennial crops have long been associated with good environmental performance and ecosystem stability. Vascular wilt diseases caused by Fusarium species are the most damaging plant diseases affecting both woody perennials and annual crops. Therefore, the aim of the present study was the assessment of the preventive and growth-promoting effects of carvacrol against Fusarium oxysporum, F. solani, and F. nivale (phylogenetically analyzed on the basis of internal transcribed spacer (ITS) regions) causing vascular wilt of ryegrass in vitro and under greenhouse conditions. To accomplish this aim, various parameters were monitored including coleoptile development, rhizogenesis, the incidence of coleoptile lesions, disease index, the visual appearance of ryegrass health, ryegrass organic matter and soil fungal load. The results obtained showed that F. nivale was highly harmful to ryegrass seedlings compared to other Fusarium species. Furthermore, carvacrol with 0.1 and 0.2 mg/mL protected significantly the seedlings against Fusarium wilt diseases both in vitro and in the greenhouse. Simultaneously, carvacrol also functioned as a seedling growth promoter, as is reflected in all monitored parameters, such as the recovery of seedling height and root length, and the development of new leaf buds and secondary roots. Carvacrol proved to be effective plant growth promoter and a bio-fungicide against Fusarium vascular diseases.

Optimization of a New Antioxidant Formulation Using a Simplex Lattice Mixture Design of Apium graveolens L., Coriandrum sativum L., and Petroselinum crispum M. Grown in Northern Morocco.

A statistical Simplex Lattice Mixture design was applied to develop a new formulation based on a combination of three plants grown in northern Morocco: Apium graveolens L., Coriandrum sativum L., and Petroselinum crispum M. We examined the extraction yield, total polyphenol content (TPC), 2'2-diphenyl-l-picrylhydrazyl (DPPH) radical scavenging activity, and total antioxidant capacity (TAC). The results of this screening study showed that C. sativum L. had the highest content of DPPH (53.22%) and TAC (37.46 ± 0.29 mg Eq AA/g DW) compared to the other two plants, while P. crispum M. showed the highest TPC (18.52 ± 0.32 mg Eq GA/g DW). Furthermore, the ANOVA analysis of the mixture design showed that all three responses (DPPH, TAC, and TPC) were statistically significant, with determination coefficients of 97%, 93%, and 91%, respectively, and fit the cubic model. Moreover, the diagnostic plots showed good correlation between the experimental and predicted values. Therefore, the best combination obtained under optimal conditions (P1 = 0.611, P2 = 0.289, P3 = 0.100) was characterized by DPPH, TAC, and TPC of 56.21%, 72.74 mg Eq AA/g DW, and 21.98 mg Eq GA/g DW, respectively. The results of this study reinforce the view of stimulating the effect of plant combinations to achieve better antioxidant activities, thus providing a better formulation using designs of mixtures for the food industry and in cosmetic and pharmaceutical applications. Moreover, our findings support the traditional use of the Apiaceae plant species in managing many disorders cited in the Moroccan pharmacopeia.

Evaluation of the Effect of Four Bioactive Compounds in Combination with Chemical Product against Two Spider Mites Tetranychus urticae and Eutetranychus orientalis(Acari: Tetranychidae).

Currently, pests control using chemical acaricides constitutes worries for ecologists and health care people as these chemical products create damage to the ecosystem as well as the development of spider mites resistance. Such concerns request deep and rapid feedback by looking for new alternative and eco-friendly methods. In recent years, a new field is evolving in the use of essential oils in pest management practices. Essential oils have been considered as potential pest management agents, because they demonstrate to have a broad range of bioactivity, possess contact, and fumigant toxicity. In addition, the major advantages of many plant-based acaricides lie in their low toxicity to agroecosystems. Botanical acaricides composed of essential oils may prove to be a good choice for the more persistent synthetic acaricides. In this study, the acaricidal effect of four plant-derived essential oils against adults of the two important crop pests, Tetranychus urticae (Koch) 1836 and Eutetranychus orientalis (Klein) 1936 are studied. The fumigant toxicity revealed that all the essential oils tested Mentha pulegium L., Lavandula stoechas L., Rosmarinus officinalis L., and Origanum compactum Benth (Lamiaceae family) displayed an acaricidal effect. At the highest dose (625 µl/ml), mortalities recorded were found between 91 and 98% and 92 and 99% at 24 and 48 h, respectively, for T. urticae, and between 90 and 98% and 94 and 99% at 24 and 48 h, respectively, for E. orientalis. The M. pulegium L. essential oil represents the highest activity against E. orientalis and T. urticae. For the binary combination between the EOs (essential oils) and the acaricide based on the active ingredient acequinocyl, the results showed that the mixture of O. compactum EO (essential oil) + acequinocyl exhibited an important acaricidal effect on T. urticae and E. orientalis with 99% at 24 h and 100% at 48 h of mortality, followed by M. pulegium EO + acequinocyl with 92% at 24 h and 95% at 48 h for T. urticae as well as 99% at 24 h and 100% at 48 h for E. orientalis of mortality. Whereas, the mixture of L. stoechas EO + acequinocyl presented the lowest activity against T. urticae and E. orientalis with 82-87% at 24 h and 86-90% at 48 h, respectively. The mixtures (M. pulegium EO + acequinocyl, R. officinalis EO + acequinocyl, and O. compactum EO + acequinocyl) exerted a high acaricidal effect against E. orientalis. These promising results could help to develop botanical pesticides that could be used in integrated pest management.

In Vitro Study of the Phytochemical Composition and Antioxidant, Immunostimulant, and Hemolytic Activities of Nigella sativa (Ranunculaceae) and Lepidium sativum Seeds.

The Moroccan flora abounds and is an important reserve of medicinal plants. Nigella sativa and Lepidium sativum are plants that are widely used in traditional medicine for their multiple therapeutic properties. The current study aims to highlight the biological activities that can justify and valorize the use of these plants. Flavonoids, total phenols, condensed tannins, and sugars were determined. The biological activities tested were antioxidant by determining the IC50 (defined as the concentration of an antioxidant required to decrease the initial concentration by 50%; inversely related to the antioxidant capacity), hemagglutination, and hemolytic activities. Phytochemical quantification of the seed extracts indicated that the total phenol content was largely similar for both plants and in the order of 10 mg GAE (Gallic acid equivalent)/g. On the other hand, L. sativum seeds registered a higher content of flavonoids (3.09 ± 0.04 mg QE (quercetin equivalent)/g) as compared to Nigella saliva (0.258 ± 0.058). Concerning condensed tannins, N. saliva seeds present a higher amount with a value of 7.2 ± 0.025 mg/g as compared to L. sativum (1.4 ± 0.22 mg/g). Concerning the total sugar content, L. sativum shows a higher content (67.86 ± 0.87 mg/g) as compared to N. sativa (58.17 ± 0.42 mg/g); it is also richer in mucilage with a content of 240 mg as compared to 8.2 mg for N. saliva. Examination of the antioxidant activity using a DPPH (2.2-diphenyl 1-pycrilhydrazyl) test revealed that the EButOH (n-butanol extract) and EAE (ethyl acetate extract) extracts were the most active, with IC50 values of 48.7 and 50.65 µg/mL for the N. sativa extracts and 15.7 and 52.64 µg/mL for the L. sativum extracts, respectively. The results of the hemagglutination activity of the different extracts of the two plants prepared in the PBS (phosphate-buffered saline) medium showed significant agglutination for the L. sativum extract (1/50) compared to the N. sativa extract (1/20). An evaluation of the hemolytic effect of the crude extract of the studied seeds on erythrocytes isolated from rat blood incubated in PBS buffer compared to the total hemolysis induced by distilled water showed a hemolysis rate of 54% for Nigella sativa and 34% for L. sativum. In conclusion, the two plants studied in the current work exhibited high antioxidant potential, which could explain their beneficial properties.

Total Polyphenols Content, Antioxidant and Antimicrobial Activities of Leaves of Solanum elaeagnifolium Cav. from Morocco.

Solanum elaeagnifolium is among the invasive plants of Morocco; studies on its chemical composition and biological activities are few in number in Morocco. S. elaeagnifolium has shown molluscicidal and nematicidal and cancer-inhibitory effects, anti-inflammatory, analgesic activity, and antibacterial activity. The objective of this research is to improve this plant and assess its antibacterial and antioxidant properties as well as its total polyphenolic content (TPC) and total flavonoid content (TFC). The Folin-Ciocalteu method and the aluminium-trichloride method were used to determine TPC and TFC in hydro-ethanolic (HEE) and hydro-acetonic (HAE) leaf extract. Three assays were performed to determine the antioxidant activity: the DPPH test (radical 2,2'-diphenyl-1-picrylhydrazyl), the FRAP test (Ferric Reducing Antioxidant Power), and the TAC test. Disk diffusion and microdilution were used to test antibacterial activity against four pathogenic bacteria and Candida albicans. The hydro-ethanolic extract 2.54 ± 0.4 mg EAG/g has a greater polyphenol concentration than the hydro-acetonic extract 1.58 ± 0.03 mg EAG/g. Although the flavonoid content of the hydro-acetonic extract (0.067 ± 0.001 mg EQ/g) is larger than that of the hydro-ethanolic extract (0.012 ± 0.001 mg EQ/g), the flavonoid content of the hydro-ethanolic extract (0.012 ± 0.001 mg EQ/g). The DPPH values were IC-50 = 0.081 ± 0.004 mg/mL for hydro-ethanoic extract and 0.198 ± 0.019 mg/mL for hydro-acetonic extract, both extracts superior to BHT (0.122 ± 0.021 g/mL). While the FRAP assay showed a low iron-reducing power values for both extracts compared to BHT), the overall antioxidant activity of the two extracts was found to be considerable. The overall antioxidant activity of the hydro-ethanolic extract was 8.95 ± 0.42 mg EAA/g, whereas the total antioxidant activity of the hydro-acetonic extract was 6.44 ± 0.61 mg EAA/g. In comparison with the antibiotic Erythromycin, HAE and HEE from S. elaeagnifolium leaves demonstrated significant antibacterial action. HAE had the best inhibitory efficacy against Bacillus subtilis DSM 6333, with an inhibition diameter of 10.5 ± 0.50 mm and a MIC of 7.5 ± 0.00 mg/mL, as well as against Proteus mirabilis ATCC 29906, with an inhibitory diameter of 8.25 ± 0.75 mm and a MIC of 15 ± 0.00 mg/mL.

QSAR, ADMET In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Studies of Novel Bicyclo (Aryl Methyl) Benzamides as Potent GlyT1 Inhibitors for the Treatment of Schizophrenia.

Forty-four bicyclo ((aryl) methyl) benzamides, acting as glycine transporter type 1 (GlyT1) inhibitors, are developed using molecular modeling techniques. QSAR models generated by multiple linear and non-linear regressions affirm that the biological inhibitory activity against the schizophrenia disease is strongly and significantly correlated with physicochemical, geometrical and topological descriptors, in particular: Hydrogen bond donor, polarizability, surface tension, stretch and torsion energies and topological diameter. According to in silico ADMET properties, the most active ligands (L6, L9, L30, L31 and L37) are the molecules having the highest probability of penetrating the central nervous system (CNS), but the molecule 32 has the highest probability of being absorbed by the gastrointestinal tract. Molecular docking results indicate that Tyr124, Phe43, Phe325, Asp46, Phe319 and Val120 amino acids are the active sites of the dopamine transporter (DAT) membrane protein, in which the most active ligands can inhibit the glycine transporter type 1 (GlyT1). The results of molecular dynamics (MD) simulation revealed that all five inhibitors remained stable in the active sites of the DAT protein during 100 ns, demonstrating their promising role as candidate drugs for the treatment of schizophrenia.

In Vitro Studies on the Antimicrobial and Antioxidant Activities of Total Polyphenol Content of Cynara humilis from Moulay Yacoub Area (Morocco).

In Morocco, Cynara humilis L. is used in traditional medicine. The objective of this research was to research the antioxidant and antimicrobial properties of hydroethanolic extracts from the C. humilis plant's leaves and roots. The content of polyphenols and flavonoids was evaluated using Folin-Ciocalteu's and aluminum chloride assays. Two techniques were used to evaluate antioxidant properties: antioxidant capacity in total (TAC) and 2,2-diphenyl-1-picrylhdrazyl (DPPH). In antimicrobial assays, five pathogenic microbial strains were studied including two Escherichia coli, one coagulase-negative Staphylococcus and Klebsiella pneumoniae, and one Candida albicans, by two techniques: agar disk diffusion and microdilution. Leaves had a greater content of flavonoids 27.07 mg QE/g of extract and the polyphenols 38.84 mg GAE/g of extract than root 24.39 mg QE/g of extract and 29.39 mg GAE/g of extract, respectively. The TAC test value of the 0.77 mg AAE/g extract in the leaf extract was found to be significantly greater than that of the 0.60 mg EAA/g extract in the root extract. The DPPH antioxidant assay IC50 values of the root and leaf extract were 0.23 and 0.93 µg/mL, respectively. C. humilis extracts showed an antimicrobial effect against all tested strains, the inhibitory zone (DIZ) have values in the range between 12 and 15 mm. Moreover, the root extract showed the lowest minimum inhibitory concentration (MIC) against coagulase-negative Staphylococcus with an IC50 value of 6.25 mg/mL. The higher content of flavonoids and polyphenols in the hydroethanolic extracts of C. humilis leaves and roots demonstrates that they have a significant antimicrobial and antioxidant effect, as found in this study.

Chemical Composition and Antimicrobial Activity of Essential Oil of Fruits from Vitex agnus-castus L., Growing in Two Regions in Bulgaria.

The chemical composition of Vitex agnus-castus L. (Verbenaceae family) fruits, collected from two regions in Bulgaria (south-central and north-east Bulgaria), was investigated. The content of proteins (5.3-7.4%), carbohydrates (73.9-78.8%), fiber (47.2-49.9%), ash (2.5-3.0%), essential oils (0.5%), and vegetable oil (3.8-5.0%) were identified in the fruits. The composition of the essential oils (EOs) of Vitex fruits from both regions was determined; the main compounds were 1,8-cineole (16.9-18.8%), α-pinene (7.2-16.6%), sabinene (6.7-14.5%), and bicyclogermacrene (7.3-9.0%), but significant differences in the quantitative and qualitative composition of EOs between the regions were found. The EOs of plants from north-east Bulgaria demonstrated antimicrobial activity against the pathogenic species Salmonella abony, Staphylococcus aureus, and Bacillus subtilis, but the Gram-negative bacteria Esсherichia coli and Pseudomonas aeruginosa exhibited resistance to the oil. Linoleic acid predominated in vegetable oil from both regions, followed by oleic acid. ß-sitosterol and γ-tocopherol were the main components in the sterol and tocopherol fraction of the lipids. Phosphatidic acids were the main components in the vegetable oil from north-east Bulgaria, while in the vegetable oil from south-central Bulgaria, all phospholipids were found in almost the same quantity. Overall, significant differences were observed in the chemical composition (proteins, carbohydrates, ash and moisture) of the fruits from the two regions of Bulgaria, as well as in the content of the main components of their essential and vegetable oils.

Evaluation of the Impact of Different Management Methods on Tetranychus urticae (Acari: Tetranychidae) and Their Predators in Citrus Orchards.

To evaluate the effectiveness of eco-friendly treatments based on detergents classified as non-hazardous and black soap on the pest Tetranychus urticae Koch 1836, and their predators (Euseius stipulatus Athias-Henriot, 1960, Typhlodromus sp., Phytoseiulus persimilis Athias-Henriot, 1957), different treatments were applied to citrus orchards planted with Valencia late (Orange) in the Mechraa Belksiri region of Morocco (T0 = control experiment; T1 = spirodiclofen 0.5 L/Ha; T2 = 125 L/Ha (5%) of black soap; T3 = detergent; 4 L/Ha of Oni product + 2 L/Ha of Tide product). The results obtained during the whole monitoring period indicated that the three treatments used, namely spirodiclofen, black soap, and detergents, ensured a reduction in the rate of population of the pest T. urticae compared to the untreated plot. In the untreated plot, the average was 45.01 A± 4.90 mobile forms, while the plot treated with spirodiclofen it was only 21.10 C ± 2.71, the black soap 31.49 B ± 3.35, and in the plot treated with detergents, the average was similar to that obtained by spirodiclofen (22.90 C ± 2.18). On the predators (E. stipulatus, P. persimilis, and Typhlodropmus sp.), the black soap and the treatment with detergents were less harmful compared to the chemical spirodiclofen.

Contribution to the Evaluation of Physicochemical Properties, Total Phenolic Content, Antioxidant Potential, and Antimicrobial Activity of Vinegar Commercialized in Morocco.

Vinegar is a natural product widely used in food and traditional medicine thanks to its physicochemical properties and its richness in bioactive molecules. However, its direct use by consumers can have complications and undesirable effects. Therefore, this study contributes to investigating the physicochemical and biological properties of eleven vinegars marketed in Morocco. Determination of pH, acetic acid, conductivity, total soluble solids and alcohol content in vinegar was carried out. The polyphenols (TP), flavonoids (TF), and condensed tannins (CT) content was determined, and their antioxidant activities were evaluated using 2,2-diphenyl-1-picryl Hydrazyl (DPPH), Ferric Reducing Antioxidant Power (FRAP) and Phosphomolybdenum Reduction Assay (TAC). Then, the antimicrobial activity was studied against four pathogenic bacteria and two fungal strains, using the disk diffusion and the microdilution method. This study showed a wide range of acetic acid values from 0.65 ± 0.29 to 5.15 ± 0.20%. The high value of TP, TF, and CT in our samples V10, V9, and V4 was 655.00 ± 22.2 µgGAE/mL, 244.53 ± 11.32 µgQE/mL and 84.63 ± 1.00 µgTAE/mL, respectively. The tested strains showed variable sensitivities to the different samples with inhibition zones ranging from 6.33 ± 2.08 to 34.33 ± 0.58 mm. The lowest minimum inhibition concentrations were recorded against Staphylococcus aureus ATCC29213 ranging from 1.95 to 7.81 µL/mL. While Aspergillus niger ATCC16404 showed resistance against all of the analyzed samples. In general, vinegar commercialized in Morocco presents a variable range of products with variable properties. Indeed, must take into account this diversity when using it. A future study is needed to identify the phytochemical composition that will further the comprehension of this variability and contribute to its valorization.