Phenolic Composition of Crataegus monogyna Jacq. Extract and Its Anti-Inflammatory, Hepatoprotective, and Antileukemia Effects.

Crataegus monogyna (C. monogyna) is a prominent plant used in Moroccan traditional medicine. This study investigated the phenolic composition and the anti-inflammatory, the hepatoprotective, and the anticancer activities of a hydroethanolic extract of C. monogyna leaves and stems. Ultra-high-performance liquid chromatography identified the phenolic profile. The in vitro anticancer activity was evaluated using the MTT assay on HL-60 and K-562 myeloleukemia cells and liver (Huh-7) cell lines. The anti-inflammatory effect was assessed in vivo using carrageenan-induced paw edema in rats. The hepatoprotective effect at 300 and 1000 mg/kg doses against the acetaminophen-induced hepatotoxicity on rats was studied for seven days. Additionally, molecular docking simulations were performed to evaluate the extract's inhibitory potential against key targets: lipoxygenase, cytochrome P450, tyrosine kinase, and TRADD. The extract exhibited significant cytotoxic activity against K-562 and HL-60 cells, but not against lung cancer cells (Huh-7 line). The 1000 mg/kg dose demonstrated the most potent anti-inflammatory effect, inhibiting edema by 99.10% after 6 h. C. monogyna extract displayed promising hepatoprotective properties. Procyanidin (-7.27 kcal/mol), quercetin (-8.102 kcal/mol), and catechin (-9.037 kcal/mol) were identified as the most active molecules against lipoxygenase, cytochrome P450, and tyrosine kinase, respectively. These findings highlight the untapped potential of C. monogyna for further exploration in treating liver damage, inflammation, and leukemia.

Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and ß-Tubulin.

The aim of this study was to determine the phytochemical composition and evaluate the antifungal and insecticidal properties of Rosmarinus officinalis essential oil (EO). GC-MS was employed to analyze the phytochemical profile of the EO. The antifungal activity of the EO was assessed by calculating growth inhibition rates for Alternaria alternata, Fusarium oxysporum, and Botrytis cinerea. Repellent capacity and toxicity were evaluated through inhalation and contact tests on Callosobruchus maculatus. Molecular docking techniques were utilized to test the insecticidal and antifungal activities of rosemary EO. The analysis revealed a total of sixteen components in R. officinalis EO, with 1,8-cineole (40.80%) being the major constituent, followed by α-pinene (26.18%) and camphor (19.53%). Antifungal evaluation demonstrated a significant inhibitory impact on the mycelial growth of the tested fungi, with complete inhibition observed against B. cinerea. In terms of insecticidal capacity, the EO induced complete mortality of C. maculatus adults at a concentration of 1 µL/L air, with an inhalation test LC50 value of 0.62 µL/L air. Concentration-dependent reductions were observed in the number of both laid eggs and emerged insects, reaching a 99.36% reduction. The EO also exhibited a moderate effectiveness in repelling insects, with an average repellency rate of 50.83%. In silico analysis identified borneol as the most active molecule against insect acetylcholinesterase (PDB: 6ARY) with a Glide score of -7.254 kcal/mol. α-Caryophyllene showed the highest activity against B. cinerea ß-tubulin (PDB: 3N2G) with a Glide score of -7.025 kcal/mol. These findings suggest that the EO derived from Moroccan Rosmarinus officinalis has potential as an effective natural agent against pathogenic fungi and could serve as a sustainable and environmentally friendly alternative as a bioinsecticide.

Pharmacological activities of chemically characterized essential oils from Haplophyllum tuberculatum (Forssk.).

The present work aimed at characterizing the phytochemical composition of Haplophyllum tuberculatum essential oil (HTEO), assessing its antifungal activity against various fungal strains, evaluating its insecticidal and repulsive properties against Callosobruchus maculatus, and determine its antioxidant capacity. To this end, Gas chromatography-mass spectrometry analysis detected 34 compounds in HTEO, with ß-Caryophyllene being the major constituent (36.94%). HTEO demonstrated predominantly modest antifungal effects, however, it sustains notable activity, particularly against Aspergillus flavus, with an inhibition rate of 76.50% ± 0.60%. Minimum inhibitory concentrations ranged from 20.53 ± 5.08 to 76.26 ± 5.08 mg/mL, effectively inhibiting fungal growth. Furthermore, the antifungal, and antioxidant activities of HTEO were evaluated in silico against the proteins Aspergillus flavus FAD glucose dehydrogenase, and beta-1,4-endoglucanase from Aspergillus niger, NAD(P)H Oxidase. Moreover, HTEO displayed strong insecticidal activity against C. maculatus, with contact and inhalation tests yielding LC50 values of 30.66 and 40.28 µL/100g, respectively, after 24 h of exposure. A dose of 5 µL/100g significantly reduced oviposition (48.85%) and inhibited emergence (45.15%) compared to the control group. Additionally, HTEO exhibited a high total antioxidant capacity of 758.34 mg AAE/g EO, highlighting its antioxidant potential. Insilico results showed that the antifungal activity of HTEO is mostly attributed to γ-Cadinene and p-Cymen-7-ol, while antioxidant is attributed to α-Terpinyl isobutyrate displayed. Overall, HTEO offers a sustainable and environmentally friendly alternative to synthetic products used to manage diseases.

Antibacterial, Antioxidant, and in silico NADPH Oxidase Inhibition Studies of Essential Oils of Lavandula dentata against Foodborne Pathogens.

Food is always subjected to microbial infection and lipid peroxidation, which frequently leads to serious food intoxications. In the present study, essential oils (EOs) extracted from Lavandula dentata Moroccan species and its major component (linalool) were chemically characterized and their antioxidant potential and antibacterial properties against foodborne pathogenic bacteria were examined. EOs phytochemical profile was carried out using gas chromatography-mass spectrometry analysis (GC-MS). The antioxidant potential was evaluated, in vitro, by use of the ß-carotene discoloration assay and in silico vs. NADPH oxidase enzymatic complex as an antioxidant marker. The antibacterial proprieties were assessed by use of minimal inhibitory concentration (MIC) and disc diffusion methods, against Gram (-) bacteria (Pseudomonas aeruginosa, Salmonella enterica, and Escherichia coli) and Gram (+) bacteria (Bacillus subtilis and Staphylococcus aureus). Linalool (49.71%) was the major component among the eighteen components identified in Lavandula dentate EO, followed by camphor (14.36%) and borneol (8.21%). The studied EO and linalool compounds showed important antioxidant activity through the ß-carotene discoloration test with IC50 values of 35.72 ± 1.21 mg/mL and 30.32 ± 1.23 mg/mL, respectively. Among all the analyzed compounds of lavender EOs, thymol, carvacrol, and α-terpineol were the most active compounds against NADPH oxidase with a glide score of -6.483, -6.17, and -4.728 kcal/mol, respectively. 2D and 3D views showed the formation of hydrogen bonds between the most active compounds and the active site of NADPH oxidase. The antibacterial data showed a significant activity of Lavandula dentata essences against tested foodborne pathogenic bacteria, especially against S. aureus and B. subtilis. Linalool proved active toward the same bacteria and had closer activity to that of lavender essential oil. In light of the obtained findings, the essential oil of Lavandula dentata Moroccan species can be used in the packaging sector as a promising natural food conservative to limit lipid oxidation and treat foodborne infections.

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.

Lavandula dentata L.: Phytochemical Analysis, Antioxidant, Antifungal and Insecticidal Activities of Its Essential Oil.

Antioxidant, antifungal and insecticidal activities of essential oil (EO) extracted from the Moroccan lavender (Lavandula dentata) were investigated and their chemical constituents determined. Gas chromatography with flame ionization detection (GC-FID) and gas chromatography-mass spectrometry analyses (GC-MS) were used to examine the phytochemical composition of EO. Antioxidant potential was examined in vitro by use of three tests: DPPH inhibition, reducing power (FRAP) and total antioxidant capacity (TAC). Antifungal activity was assessed by calculating inhibition of growth of Alternaria alternata, Botrytis cinerea and Fusarium oxysporum. Repellent potential and toxicity of EO by contact and inhalation were performed against Callosobruchus maculatus. Sixteen constituents were detected in the EO of Lavandula dentata. The major component was linalool (45.06%) followed by camphor (15.62%) and borneol (8.28%). EO exhibited a significant antioxidant activity, as measured by DPPH and FRAP assays, with IC50 and EC50 values of 12.95 ± 1.300 mg/mL and 11.88 ± 0.23 mg/mL, respectively. EO of lavender exhibited total antioxidant capacity of 81.28 ± 2.28 mg AAE/g EO. EO of lavender showed an inhibitory effect on mycelial growth against tested fungi and was 100% in the case of B. cinerea. EO caused total mortality of adult C. maculatus from 5 µL/L air with LC50 value of 4.01 µL/L air. Significant reduction in numbers of eggs laid (99.2%) and emergence (100%) was observed in a dose-dependent manner up to maxima of 100% and 99.2%, respectively. EO of lavender also showed a moderate potency to repel insects with a mean of 34.44%. EO of Moroccan Lavandula dentata has potential to be an effective natural agent against free radical damage and could be an environmentally friendly alternative bio-fungicide and bio-insecticide.