Exploring the bio-insecticidal activity of Eucalyptus globulus essential oil/ß-cyclodextrin inclusion complexes: In vitro and in silico assessment against Ephestia kuehniella larvae.

Owing to their beneficial functional capabilities, essential oils were largely used. However, their low aqueous solubility, instability, and high volatility urged scientists to their encapsulation with cyclodextrins (CDs) to tackle their shortcomings. In this study, the co-precipitation method was used to prepare ß-CD/Eucalyptus globulus essential oil (EGEO) inclusion complexes (ICs). ß-CD/EGEO ICs were prepared at ratios (w:w) 1:2 and 1:4 with an encapsulation efficiency of 93 and 96%, respectively. The ICs characterization using the Fourier transform Infrared spectroscopy, differential scanning calorimetry, X-ray powder diffraction, Dynamic Light Scattering, and Laser Doppler Velocimetry confirmed the formation of ß-CD/EGEO ICs. The insecticidal activity of the free EGEO and ICs was explored and displayed that the complex ß-CD/EGEO 1:4 had the highest activity with the lowest LC50 against Ephestia kuehniella larvae (5.03 ± 1.16 mg/g) when compared to the free oil (8.38 ± 1.95 mg/g). Molecular docking simulations stipulated that the compound α-Bisabolene epoxide had the best docking score (ΔG = -7.4 Kcal/mol) against the selected insecticidal target α-amylase. Additionally, toxicity evaluation of the studied essential oil suggested that it could be safely used as a potent bioinsecticide as compared to chemical insecticides. This study reveals that the formation of ß-CD/EGEO ICs enhanced the oil activity and stability and could be a promising and safe tool to boost its application in food or pharmaceutical fields.

Disclosing the Functional Potency of Three Oxygenated Monoterpenes in Combating Microbial Pathogenesis: From Targeting Virulence Factors to Chicken Meat Preservation.

During the last few decades, there has existed an increased interest in and considerable consumer preference towards using natural and safe compounds derived from medicinal plants as alternatives to synthetic preservatives to combat microbial pathogenicity. In this regard, the present study investigated the possible synergistic interactions of the anti-foodborne bacterial capacity of linalool (L), eucalyptol (E), and camphor (C). The antibacterial synergistic effect was determined against Staphylococcus aureus, Listeria monocytogenes, Salmonella enterica Typhimurium, and Escherichia coli. The optimal predicted mixture showed the highest antibacterial activity at 33.5%, 33.2%, and 33.4% of L, E, and C, respectively. Molecular docking simulations displayed that the studied monoterpenes have effective antibacterial inhibitory effects by impeding specific virulence factors such as sortase A, listeriolysin O, L, D-Transpeptidase, and polyphosphate kinase. The selected triple combination of L, E, and C was applied as a natural preservative in minced chicken breast meat. In this regard, 1 MIC (16 µg/mL), 1.5 MIC (24 µg/mL), and 2 MIC (32 µg/mL) of L. monocytogenes were used, and the microbiological, physicochemical, and sensory analyses were monitored for 14 days of storage at 4 °C. The L/E/C mixture at different levels could delay lipid and protein oxidation, inhibit the microorganisms, and maintain the sensory attributes. Additionally, by using chemometric tools, strong connections between physicochemical properties, microbiological parameters, and organoleptic attributes were established. Concisely, this research confers the importance of the use of blended monoterpenes and highlights their antibacterial mode of action, effectiveness, and synergistic effects as a powerful and safe bio-preservative formulation in chicken meat products.

Combined in†vitro/in silico approaches, molecular dynamics simulations and safety assessment of the multifunctional properties of thymol and carvacrol: A comparative insight.

Bioactive compounds derived from medicinal plants have acquired immense attentiveness in drug discovery and development. The present study investigated in vitro and predicted in silico the antibacterial, antifungal, and antiviral properties of thymol and carvacrol, and assessed their safety. The performed microbiological assays against Pseudomonas aeruginosa, Escherichia coli, Salmonella enterica Typhimurium revealed that the minimal inhibitory concentration values ranged from (0.078 to 0.312 mg/mL) and the minimal fungicidal concentration against Candida albicans was 0.625 mg/mL. Molecular docking simulations, stipulated that these compounds could inhibit bacterial replication and transcription functions by targeting DNA and RNA polymerases receptors with docking scores varying between (-5.1 to -6.9 kcal/mol). Studied hydroxylated monoterpenes could hinder C. albicans growth by impeding lanosterol 14α-demethylase enzyme and showed a (ΔG=-6.2 and -6.3 kcal/mol). Computational studies revealed that thymol and carvacrol could target the SARS-Cov-2 spike protein of the Omicron variant RBD domain. Molecular dynamics simulations disclosed that these compounds have a stable dynamic behavior over 100 ns as compared to remdesivir. Chemo-computational toxicity prediction using Protox II webserver indicated that thymol and carvacrol could be safely and effectively used as drug candidates to tackle bacterial, fungal, and viral infections as compared to chemical medication.

Positive effects of leaves of Erodium glaucophyllum on lipid peroxidation and antioxidant defence depletion induced by obesity.

Medicinal plants are sources of natural antioxidants thanks to their secondary metabolites. Previous studies showed that administration of Erodium glaucophyllum (EG) (Geraniaceae family) was found to alleviate the deleterious effects of obesity-induced damage on liver, heart and kidney. This study, carried out on adult male Wistar rats, evaluates the inhibitory effects of supplementation with E. glaucophyllum extract on obesity. Under our experimental conditions, administration of Erodium aqueous extract decreased the total cholesterol, LDL-cholesterol, and triglycerides levels as well as ASAT, ALAT, LDH, PAL levels and TBARS concentration; and increased the (HDL) with the antioxidant enzymes (SOD, CAT, GPx) in liver, heart and kidney, compared to HFD group. The anti-obesity effects of the Erodium extract in several organs were mainly due to the interaction of these bioactive molecules (polyphenols, flavonoids, and tannin compounds) and the enzyme system which could be determined by phytochemical analysis.

Multiobjective response and chemometric approaches to enhance the phytochemicals and biological activities of beetroot leaves: an unexploited organic waste.

Research on medicinal plants is developing each day due to inborn phytochemicals, which can encourage the progress of novel drugs. Most plant-based phytochemicals have valuable effects on well-being. Among them, beetroot leaves (BL) are known for their therapeutic properties. Here, three solvents, namely, acetonitrile, ethanol, and water, and their combinations were developed for BL extraction and simultaneous assessment of phytochemical compounds and antioxidant and antifoodborne pathogen bacteria activities. By using the augmented simplex-centroid mixture design, 40.40% acetonitrile diluted in water at 38.74% and ethanol at 20.86% favored the recovery of 49.28 mg GAE/mL (total phenolic content (TPC)) and 0.314 mg QE/mL (total flavonoid content (TFC)), respectively. Acetonitrile diluted in water at 50% guarantees the best antioxidant activity, whereas the optimal predicted mixture for the highest antibacterial activity matches 24.58, 50.17, and 25.25% of acetonitrile, ethanol, and water, respectively. These extraction conditions ensured inhibition of Staphylococcus aureus, Salmonella enterica, and Escherichia coli, respectively, at 0.402, 0.497, and 0.207 mg/mL. Under optimized conditions, at three concentrations of BL, minimal inhibitory concentration (MIC), 2 × MIC, and 4 × MIC, a linear model was employed to investigate the inhibition behavior against the three tested bacteria. The early logarithmic growth phase of these bacteria illustrated the bactericidal effect of optimized extracted BL with a logarithmic growth phase inferior to 6 h. Therefore, BL extract at 4 × MIC, which corresponds to 1.608, 1.988, and 0.828 mg/mL, was more efficient against S. aureus, S. enterica, and E. coli.

Novel Active Food Packaging Films Based on Gelatin-Sodium Alginate Containing Beetroot Peel Extract.

Currently, the exploration of natural colorants from vegetal waste has gained particular attention. Furthermore, incorporation of these natural sources into biopolymers is an encouraging environmentally friendly approach to establishing active films with biological activities for food packaging. The present study developed bioactive antioxidant films based on gelatin-sodium alginate (NaAlg) incorporated with aqueous beetroot peel extract (BPE). Firstly, the effects of combining gelatin-NaAlg and BPE at 0.25, 0.5, and 1% on the mechanical, physical, antioxidant, and antibacterial properties of the films were analyzed. With increasing BPE, mechanico-physical properties and antioxidant and anti-foodborne pathogen capacities were enhanced. Likewise, when added to gelatin-NaAlg films, BPE remarkably increased the instrumental color properties. Moreover, during 14 days of storage at 4 °C, the impact of gelatin-NaAlg coating impregnated with BPE on microbial and chemical oxidation and on the sensory characteristics of beef meat samples was periodically assessed. Interestingly, by the end of the storage, BPE at 1% limited the microbial deterioration, enhanced the instrumental color, delayed chemical oxidation, and improved sensory traits. By practicing chemometrics tools (principal component analysis and heat maps), all data provided valuable information for categorizing all samples regarding microbiological and oxidative properties, sensory features, and instrumental color. Our findings revealed the ability of gelatin-NaAlg with BPE as an antioxidant to be employed as food packaging for meat preservation.

In-Depth Study of Thymus vulgaris Essential Oil: Towards Understanding the Antibacterial Target Mechanism and Toxicological and Pharmacological Aspects.

Questions have been raised apropos the emerging problem of microbial resistance, which may pose a great hazard to the human health. Among biosafe compounds are essential oils which captured consumer draw due to their multifunctional properties compared to chemical medication drugs. Here, we examined the chemical profile and the mechanism(s) of action of the Thymus vulgaris essential oil (TVEO) against a Gram-negative bacterium Salmonella enterica Typhimurium ATTCC 10028 (S. enterica Typhimurium ATTCC 10028) and two Gram-positive bacteria Staphyloccocus aureus ATCC 6538 (S. aureus ATCC 6538) and Listeria monocytogenes ATCC 19117 (L. monocytogenes ATCC 19117). Findings showed that TVEO was principally composed of thymol, o-cymene, and γ-terpinene with 47.44, 16.55, and 7.80%, respectively. Molecular docking simulations stipulated that thymol and ß-sesquiphellandrene (a minor compound at 1.37%) could target multiple bacterial pathways including topoisomerase II and DNA and RNA polymerases of the three tested bacteria. This result pointed plausible impairments of the pathogenic bacteria cell replication and transcription processes. Through computational approach, the VEGA quantitative structure-activity relationship (QSAR) model, we revealed that among twenty-six TVEO compounds, sixteen had no toxic effects and could be safe for human consumption as compared to the Food and Drug Administration (FDA) approved drugs (ciprofloxacin and rifamycin SV). Assessed by the SwissADME server, the pharmacokinetic profile of all identified TVEO compounds define their absorption, distribution, metabolism, and excretion (ADME) properties and were assessed. In order to predict their biological activity spectrum based on their chemical structure, all TVEO compounds were subjected to PASS (Prediction of Activity Spectra for Substances) online tool. Results indicated that the tested compounds could have multiple biological activities and various enzymatic targets. Findings of our study support that identified compounds of TVEO can be a safe and effective alternative to synthetic drugs and can easily combats hazardous multidrug-resistant bacteria.

Cupressus sempervirens Essential Oil: Exploring the Antibacterial Multitarget Mechanisms, Chemcomputational Toxicity Prediction, and Safety Assessment in Zebrafish Embryos.

Nowadays, increasing interest has recently been given to the exploration of new food preservatives to avoid foodborne outbreaks or food spoilage. Likewise, new compounds that substitute the commonly used synthetic food preservatives are required to restrain the rising problem of microbial resistance. Accordingly, the present study was conducted to examine the chemical composition and the mechanism(s) of action of the Cupressus sempervirens essential oil (CSEO) against Salmonella enterica Typhimuriumand Staphyloccocus aureus. The gas chromatography analysis revealed α-pinene (38.47%) and δ-3-carene (25.14%) are the major components of the CSEO. By using computational methods, such as quantitative structure-activity relationship (QSAR), we revealed that many CSEO components had no toxic effects. Moreover, findings indicated that α-pinene, δ-3-carene and borneol, a minor compound of CSEO, could inhibit the AcrB-TolC and MepR efflux pump activity of S. enterica Typhimurium and S. aureus, respectively. In addition, our molecular docking predictions indicated the high affinity of these three compounds with active sites of bacterial DNA and RNA polymerases, pointing to plausible impairments of the pathogenic bacteria cell replication processes. As well, the safety profile was developed through the zebrafish model. The in vivo toxicological evaluation of (CSEO) exhibited a concentration-dependent manner, with a lethal concentration (LC50) equal to 6.6 µg/mL.

Therapeutic strategies of Moringa oleifera Lam. (Moringaceae) for stomach and forestomach ulceration induced by HCl/EtOH in rat model.

Background: The drumstick tree Moringa oleifera Lam. (Moringaceae), distributed in many parts of the world, is an important food plant with high nutritional value and used in medical applications and pharmaceutical industries. The aim of this study was to highlight the gastroprotective effect of Moringa oleifera in hydrochloric acid/Ethanol (HCl/EtOH) in a rat model. Methods: Moringa phytocompounds were characterized by infrared spectra (FTIR). Rats were induced for gastric ulcer with 150 mmol/L HCl/60% EtOH solution and pretreated orally with the edible infusion extract of the leaves of Moringa oleifera at a single dose of 100 mg/kg body weight (bw). Antioxidant parameters and lipid peroxide levels were measured and the pathological damage was histologically analysed. Results: The FTIR analysis showed the presence of several chemical biocompounds. The methanolic extract is the potent radical-scavengers with an estimated value of 87.54% at the higher concentration used (500 µg/ml) and antibacterial agent. Further, the DPPH inhibition value of the M. oleifera infusion was 80.58%. For in vivo analysis, mucus was highly produced in gastric mucosa of plant-treated rats, thereby pH were elevated in rats pretreated with M. oleifera compared to ulcerated animals. Whereas, lesion index was markedly reduced (79%) in stomach protected with plant. Interestingly, oral administration of M. oleifera protected gastric mucosa through decreasing MDA levels as well as increasing antioxidant enzyme activities (CAT, SOD, GPx). Conclusion: Overall, the therapeutic value against acidified ethanol induced gastric and ulcer ability of M. oleifera might be due to its biocompounds.

In silico evidence of antiviral activity against SARS-CoV-2 main protease of oligosaccharides from Porphyridium sp.

The coronavirus pandemic (COVID-19) has created an urgent need to develop effective strategies for prevention and treatment. In this context, therapies against protease Mpro, a conserved viral target, would be essential to contain the spread of the virus and reduce mortality. Using combined techniques of structure modelling, in silico docking and pharmacokinetics prediction, many compounds from algae were tested for their ability to inhibit the SARS-CoV-2 main protease and compared to the recent recognized drug Paxlovid. The screening of 27 algal molecules including 15 oligosaccharides derived from sulfated and non-sulphated polysaccharides, eight pigments and four poly unsaturated fatty acids showed high affinities to interact with the protein active site. Best candidates showing high docking scores in comparison with the reference molecule were sulfated tri-, tetra- and penta-saccharides from Porphyridium sp. exopolysaccharides (SEP). Structural and energetic analyses over 100 ns MD simulation demonstrated high SEP fragments-Mpro complex stability. Pharmacokinetics predictions revealed the prospects of the identified molecules as potential drug candidates.

Pistachio Hull Extract as a Practical Strategy to Extend the Shelf Life of Raw Minced Beef: Chemometrics in Quality Evaluation.

The agricultural processing industry produces a notable quantity of by-products rich in bioactive compounds, which can be exploited for agri-food applications. From pistachio industrial processing, pistachio's hull is one of the major by-products. This work aimed to evaluate the potential of pistachio hull, as a potential source of natural antioxidant, to preserve the meat quality. Here, we investigated the impact of aqueous pistachio hull extract (PHE) at 0.156% (PHE1), 0.312% (PHE2), and 0.625% (PHE3) on the quality of raw minced beef meat stored for 14 days at 4°C. At the end of storage, mesophilic total viable plate, psychotropic and Enterobacteriaceae counts, showed significantly lower (P < 0.05) microbial count in PHE samples. PHE3 revealed a powerful inhibitory effect on lipid/protein oxidation, and sensory characteristics were positively (P < 0.05) affected. Principal component analysis and heat map indicated complex and close synchronized relations among lipid/protein oxidation processes, microbial loads, and sensory attributes. Obtained results using univariate and multivariate statistical analysis underlined the importance of using different mathematical approaches, which are complementary to each other and could provide considerable information about the minced beef meat treated by PHE. Therefore, compared to synthetic antioxidants, PHE could be a clean-label alternative that can protect and enhance the quality of meat products.

Protective effect of ginger (Zingiber officinale) against PCB-induced acute hepatotoxicity in male rats.

After absorption by the organism, polychlorinated biphenyls (PCBs) cross cellular membranes and pass into blood vessels and the lymphatic system. It is generally in the liver, adipose tissues, brain and skin that we find the strongest concentrations of PCBs. Herbal medicine remains as a discipline intended to treat and to prevent certain functional disorders and/or pathologies caused by oxidative stress, which can be induced by pesticides, medicines or pollutants. The objective of this study is to verify the toxic and oxidative effects of PCBs and to investigate the protective effect of ginger (Zingiber officinale) in the liver of male rats of the "Wistar" strain. These rats are divided into 6 groups: a control group (T), two groups treated with PCB at two different concentrations (P1 and P2), a group treated with ginger extract (G), a group pretreated with ginger extract and then injected with the first concentration of PCBs (P1G), and a group pretreated with ginger and then injected with the second concentration of PCBs (P2G). The results showed that the administration of PCBs led to an increase in the relative weight of the liver, and a significant increase in all of the hepatic biomarker levels (glucose, cholesterol, triglycerides, AST, ALT, and LDH) in the serum. Furthermore, an increase in the rate of lipid peroxidation and a decrease in the antioxidant enzyme activities (catalase, superoxide dismutase and glutathione peroxidase) were observed under the influence of PCBs in the liver. The histological test showed that the PCBs induced hepatocyte vacuolization, prominent and peripheralized nuclei, hepatocellular hypertrophy and turgor of the vein in the centriacinar regions. Pretreatment with ginger extract restored all of the biochemical and oxidative parameters to the normal values and reduced the injuries caused by the PCBs. In conclusion, in our experimental conditions, ginger effectively protects the liver against the hepatotoxic effects induced by PCBs.