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For their pungency and tanginess, ginger rhizomes (Zingiber officinale) are often used in cooking. Ginger has long been used in traditional medicine and home remedies to treat pain and inflammation. This research tests Z. officinale (EOZ) essential oils’ chemical composition, insecticidal, and antioxidant properties in vitro and in silico. EOZ yielded 0.69% of root mass with 23 chemicals. The main chemicals in EOZ were α-zingiberene (23.850%), Geranial (14.160%), and (E,E)-α-farnesene (9.980%). EOZ demonstrated noteworthy antioxidant activity in all tests, with an IC50 of 9.53 ± 0.41 mg/mL in the DPPH test and an EC50 of 87.46 ± 3.19 mg/mL in the FRAP system. The results indicate that EOZ has strong efficacy against C. maculatus, even at low concentrations (1.00 μL/100 g). Note that EOZ killed 20 ± 0% and 13.33 ± 4.44% of adult C. maculatus in inhalation and contact tests, respectively. High concentration (20.00 μL/100 g) resulted in 100% adult mortality in inhalation tests and 96.67 ± 4.44% mortality in contact testing. We then used molecular docking to identify EO major component binding modes by targeting insecticidal and antioxidant protein structures 1R20 and 1R4U. This research helps create insecticides and antioxidants from common ginger essential oil.

The objective of this ongoing research is to investigate and assess the aqueous extracts, vegetable oil, and residual plant components derived from O. dillenii by use of HPLC, and GC-MS. Subsequent investigations employed colorimetric techniques to identify reducing and soluble sugars. We developed and validated an energy-dispersive X-ray fluorescence (EDXRF) method for determining the concentrations of essential chemical elements (O, C, Ca, Mg, K, S, P) in seeds, juice, and peel, as well as their residues. HPLC analysis yielded results indicating that extracts from O. dillenii seeds, juice, and peel from distinct regions (Oujda, Nador, and Essaouira) contained elevated concentrations of metabolites. Specifically, peel and juice extracts exhibited the highest levels of organic acids and betanin compared to O. dillenii seeds. Conversely, seed oils displayed a noteworthy tocopherol content, predominantly δ-tocopherol. Similarly, an examination of organic acid composition in juice, peel, and seeds from three different regions revealed their elevated levels. Citric acid and oxalic acid emerged as predominant components in the juice. Overall, Opuntia dillenii’s physicochemical and phytochemical characterization improves in understanding its potential as a bioactive chemical promoter, which could lead to the creation of new medicinal medicines or functional food ingredients.

Leafy vegetables are very healthy for human beings having high contents of phyto- and physico-chemicals and are low in fat and calories. Mountainous regions worldwide have diverse agroclimatic conditions conducive for the cultivation of different leafy vegetables. Present research study assessed six leafy vegetables for their composition at fifteen different agroecological sites. Fresh leaves of six leafy vegetables, i.e. alfalfa, water clover, spinach, leaf mustard, pennywort, and fenugreek, were collected from the mountainous region. Procured leaf samples were brought to analytical laboratory and were subjected to physicochemical and phytochemical analysis, i.e. moisture content, pH, TSS, ascorbic acid, carotenoids, phenolic content, flavonoids, and antioxidant potential. Among all the sampling sites and vegetables, a significant variation was observed for the physicochemical and phytochemical parameters. In samples procured from different agroecological sites, the better retention of quality parameters was observed among the leaf sample collected from fifteen different agroecological sites. The highest values were recorded for moisture content in spinach at site 1, for pH in leaf mustard at sites 4, 5 and 6, for TSS in spinach at sites 6 and 9, for ascorbic acid in alfalfa at site 6, for total phenolics in spinach at site 5, for carotenoid in leaf mustard at site 5, for flavonoids in fenugreek at site 5, and for antioxidant in spinach at site 6. It can be concluded that mountainous regions are rich in agroecological conditions suitable for producing leafy vegetables carrying healthful constituents for the consumption by human beings.

Abstract The available Epstein Barr virus vaccine has tirelessly harnessed the gp350 glycoprotein as its target epitope, but the result has not been preventive. Right here, we designed a global multi-epitope vaccine for EBV; with special attention to making sure all strains and preventive antigens are covered. Using a robust computational vaccine design approach, our proposed vaccine is armed with 6–16 mers linear B-cell epitopes, 4–9 mer CTL epitopes, and 8–15 mer HTL epitopes which are verified to induce interleukin 4, 10 & IFN-gamma. We employed deep computational mining coupled with expert intelligence in designing the vaccine, using human Beta defensin-3—which has been reported to induce the same TLRs as EBV—as the adjuvant. The tendency of the vaccine to cause autoimmune disorder is quenched by the assurance that the construct contains no EBNA-1 homolog. The protein vaccine construct exhibited excellent physicochemical attributes such as Aliphatic index 59.55 and GRAVY − 0.710; and a ProsaWeb Z score of − 3.04. Further computational analysis revealed the vaccine docked favorably with EBV indicted TLR 1, 2, 4 & 9 with satisfactory interaction patterns. With global coverage of 85.75% and the stable molecular dynamics result obtained for the best two interactions, we are optimistic that our nontoxic, non-allergenic multi-epitope vaccine will help to ameliorate the EBV-associated diseases—which include various malignancies, tumors, and cancers—preventively.

Abstract Understanding the distribution of the plant species of an unexplored area is the utmost need of the present-day. In order to collect vegetation data, Quadrat method was used having size of 1 m2. The composite soil samples from each site were tested for various edaphic properties. PC-ORD v.5 was used for the classification of the vegetation while CANOCO v.5.1 was used for ordination of the data and to find out the complex relationship between plants and environment. Survey was conducted during summer season and a total of 216 herbaceous species were recorded from forty different sites of District Kohat, Pakistan. Cluster Analysis (CA) and Two-Way Cluster Analysis (TWCA) classified the vegetation of forty sites into six major plant groups i.e., 1. Paspalum paspalodes, Alternanthera sessilis, Typha domingensis, 2. Cynodon dactylon, Parthenium hysterophorus, Brachiaria ramosa, 3. Cynodon dactylon, Eragrostis minor, Cymbopogon jwarancusa, 4. Cymbopogon jwarancusa, Aristida adscensionis, Boerhavia procumbens, 5. Cymbopogon jwarancusa, Aristida adscensionis, Pennisetum orientale and 6. Heteropogon contortus, Bothriochloa ischaemum, Chrysopogon serrulatus. They were named after the dominant species based on their Importance Value (IV). The detrended correspondence analysis (DCA) analysis further confirmed the vegetation classification. Canonical correspondence analysis (CCA) indicated that the species distribution in the area was strongly affected by various environmental factors including status, soil characteristics, topography and altitude.

Abstract The global scientific community is deeply concerned about the deterioration of water quality resulting from the release of industrial effluents. This issue is of utmost importance as it serves to safeguard the environment and combat water pollution. The objective of this work is to elaborate a biomaterial of vegetable origin, based on the twigs of Aleppo pine, and to use it as an abundant and less expensive material for the treatment of wastewater. For this reason, the twigs were treated physically to get the powder called biomaterial FPA (Aleppo pine fiber), which was characterized by physicochemical, and spectroscopic analyses namely scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). The crystallinity index of FPA was evaluated by the peak height method. The findings indicate that the FPA powder has an acidic nature, exhibiting a porous structure that promotes the adsorption and binding of molecules. Additionally, it has a zero charge point of 5.8 and a specific surface area of 384 m2.g−1. It is primarily composed of hydroxyl, carboxyl, and amine functional groups, along with mineral compounds and organic compounds, including cellulose and other mineral elements such as Ca, Mg, Fe, Na, P, Al, K, Ni, and Mo. Combining these characteristics, FPA biomaterial has considerable potential for use as an effective adsorbent biomaterial for various wastewater pollutants. Its abundance and relatively low cost make it an attractive solution to the growing challenges of water pollution worldwide. Graphical Abstract

Abstract The aim of the experiment was to evaluate the potential of promising summer maize genotypes and optimal stage of harvesting these genotypes for ensiling in terms of dry matter (DM), starch, and crude protein (CP) yields, silage fermentation quality, nutrients profile, total digestible nutrients, metabolizable energy (ME) content, Cornell Net Carbohydrate and Protein System (CNCPS) carbohydrate (CHO) subfractions composition, in vitro DM digestibility (DMD) and in situ starch degradation characteristics. Six maize genotypes were chosen for the study: DK9108 from Monsanto, P30Y87, P3939 from Pioneer, QPM-300 (quality protein maize) and W94 from the International Maize and Wheat Improvement Center (CIMMYT), and a local cultivar, Afgoii, from the Cereal Research Institute (Persabaq, KP). A total of 72 plots (8 m × 10 m) were blocked in three replicate fields, and within each field, each genotype was sown in four replicate plots according to a randomized complete block design. For the data analysis, the Proc-Mixed procedure of Statistical Analysis System with repeated measure analysis of variance was used. The DM yield was strongly influenced (P

Abstract In the current study, we utilized molecular modeling and simulation approaches to define putative potential molecular targets for Burdock Inulin, including inflammatory proteins such as iNOS, COX-2, TNF-alpha, IL-6, and IL-1β. Molecular docking results revealed potential interactions and good binding affinity for these targets; however, IL-1β, COX-2, and iNOS were identified as the best targets for Inulin. Molecular simulation-based stability assessment demonstrated that inulin could primarily target iNOS and may also supplementarily target COX-2 and IL-1β during DSS-induced colitis to reduce the role of these inflammatory mechanisms. Furthermore, residual flexibility, hydrogen bonding, and structural packing were reported with uniform trajectories, showing no significant perturbation throughout the simulation. The protein motions within the simulation trajectories were clustered using principal component analysis (PCA). The IL-1β–Inulin complex, approximately 70% of the total motion was attributed to the first three eigenvectors, while the remaining motion was contributed by the remaining eigenvectors. In contrast, for the COX2–Inulin complex, 75% of the total motion was attributed to the eigenvectors. Furthermore, in the iNOS–Inulin complex, the first three eigenvectors contributed to 60% of the total motion. Furthermore, the iNOS–Inulin complex contributed 60% to the total motion through the first three eigenvectors. To explore thermodynamically favorable changes upon mutation, motion mode analysis was carried out. The Free Energy Landscape (FEL) results demonstrated that the IL-1β–Inulin achieved a single conformation with the lowest energy, while COX2–Inulin and iNOS–Inulin exhibited two lowest-energy conformations each. IL-1β–Inulin and COX2–Inulin displayed total binding free energies of − 27.76 kcal/mol and − 37.78 kcal/mol, respectively, while iNOS–Inulin demonstrated the best binding free energy results at − 45.89 kcal/mol. This indicates a stronger pharmacological potential of iNOS than the other two complexes. Thus, further experiments are needed to use inulin to target iNOS and reduce DSS-induced colitis and other autoimmune diseases.

Abstract The present study deals with the kinetics of improved poly(3-hydroxybutyrate) (PHB) production by an L-cysteine HCl-depressed mutant of Bacillus licheniformis. Production of biodegradable polymers is to eliminate use of materials derived from petrochemicals and also because of their environmental impact. For the current study, mutant strain (NA-21) & wild-type (IIB-isl19) were used for PHB production. Submerged culture with two-stage fermentation technique was used for PHB production. Results indicated that PHB production was improved with 300 mM of –HNO2. The superior mutant strain (NA-21) resulted in 2-fold more PHB as compared to the wild-type (IIB-isl9). It was selected, and resistance against L-cysteine HCl was developed. At 4 ppm concentration of L-cysteine HCl, PHB production by mutant strain (NA-cys4) was higher than its wild counterpart by 5.7-fold. Kinetic study of parameters including specific growth rate (µ h− 1), growth (Yx/s,Ys/x), product yield coefficients (Yp/s,Yp/x), volumetric rate constants (Qp, Qs, Qx) and specific rate constants (qp, qs, qx), were also accomplished. Moreover, Yp/x, Qp and qp = µ × Yp/x were found to be very significant as 1.254 ± 0.06 (g/g biomass), 0.134 ± 0.01 (g/l/h) and 0.168 ± 0.01 (g/g/h), respectively. The effect of fatty acids on PHB production highlighted the improvement in PHB production by 1.94-fold. The highest PHB production during the study was 16.35 ± 3.12 g/l which highlighted its significance (p ≤ 0.05) and impact on the overall process. The variation in PBH yield between wild-type and mutant B. licheniformis is possibly because of induced DNA interstrand thus making unstable thymidine-thymidine dymers. From the results, it was concluded that improved PHB production on industrial scale is fairly possible and it holds the potential to contribute significantly to plastic circularity in the future.

Abstract The use of constructed wetlands (CWs) is one of the best options to treat wastewater. In CWs, microorganisms play a major role in the degradation of organic pollutants but the concentration of nutrients, surfactant, and aeration (NSA) in oil-contaminated water is one of the factors that affect the persistence and metabolic functioning of hydrocarbon-degrading microorganisms. In the present investigation, the influence of the addition of NSA on the persistence of the augmented bacteria, copy of (alkane hydroxylase gene) alkB gene, and its expression level in the water, soil, and plants of CWs were evaluated. The CWs mesocosms were developed by the vegetation of Typha latifolia and Cyperus laevigatus and inoculated with the bacterial consortium (Pseudomonas putida TYRI39, Acinetobacter junii TYRH47, Acinetobacter sp. CYRH17, Pseudomonas sp. CYSI27, and Pseudomonas sp. TYRH42). The mesocosms were provided with nutrients (20 mg l− 1 N, 2.6 mg l− 1 P, and 16.4 mg l− 1 K) in liquid form, surfactant Tween-20 (0.2%, v/v) in liquid form, and aeration (≥ 7.0 ± 1 mg l− 1 DO) using aeration pump. The addition of NSA in CWs enhanced the persistence and metabolic functioning of the inoculated bacteria in the water, rhizospheric soil, and plants. The maximum hydrocarbon removal (97%) was observed in the water treated by CWs having C. laevigatus, bacteria, and NSA, and it is correlated with the copy numbers of alkB and its expression level. The application of NSA in CWs not only improved bacterial persistence and catabolic gene expression but also increased plant development and hydrocarbon removal.

Abstract In the last few decades, researchers have thoroughly studied the use of plants in Palestine, one of them is Cyclamen persicum Mill. (C. persicum). Cyclamen persicum has been historically cultivated since the 1700s due to its tuber. The tuber is known to stimulate the nasal receptors, thus triggering the sensory neurons. Cyclamen persicum has anti-inflammatory effects, reduces cholesterol levels, treats diabetes, and inhibits tumor growth. In this respect, in-vitro examination of antibacterial and anticancer activities and antioxidative potency of C. persicum ethanolic extract were evaluated. The antioxidative potency of the extracted plant material was determined spectrophotometrically using the DPPH free radical scavenging method and the HPLC–PDA method to evaluate its total phenolic content (TPC) and total flavonoid content (TFC). The experimental results demonstrated limited antibacterial activity of C. persicum extract against both gram negative (E. coli) and gram positive (Streptococcus and S. aureus) bacterial strains, with the observed zones of inhibition measuring less than 8 mm. On the other hand, powerful activity against MCF7 breast cancer as well as HT29 colon cancer cell lines was obtained. The findings also revealed potent inhibition of free radicals and the presence of maximal levels of natural products such as phenolic compounds and flavonoids, which supportits biological activities and powerful ability to scavenge free radicals. HPLC results showed the presence of numerous flavonoid and phenolic compounds such as rutin, chlorogenic acid, kaempferol, trans-cinnamic acid, quercetin, sinapic acid, and p-coumaric acid.

In the present work, we assessed the antioxidant, antibacterial, and antifungal activities of chemically defined Artemisia mesatlantica Maire (EOAM) essential oils. The GC-MS analysis of EOAM showed the presence of active promising active compounds. EOAM showed important antioxidant capacity through DPPH, FRAP and TAC assays. The in vitro antimicrobial screening showed that EOAM had antibacterial activity, with inhibition zones ranging from 20.67 to 38.35 mm on solid media and inhibitory doses of 2.34 to 4.78 µg/mL on liquid media. It also exhibits antifungal activities, with inhibition diameters ranging from 15.67 to 61.57 mm at doses from 2.90 to 12.54 µg/mL. EOAM was resistant to Aspergillus flavus (A. flavus). In addition, molecular docking, molecular dynamics simulations, and ADMET analyses validated in vitro activities. This research suggests that A. mesatlantica (EOAM) may fight drug-resistant bacteria. These results demonstrate the potential of EOAM to produce novel antioxidant and antibacterial solutions.

Table olives, a vital category among fermented vegetables, come in treated and natural forms. Treated green olives require an alkaline treatment before brining to start fermentation. This study investigates the fermentation of unsalted Moroccan Picholine green olives using a method that includes heat shock treatment, inoculation with Lactiplantibacillus plantarum S61, and orange peel juice. The findings indicate that a heat shock at 70°C significantly reduces enterobacteria and enhances acidification, dropping pH levels from 5.0 to 3.6. In contrast, non-heat-treated olives showed only a slight pH decrease. The method also exhibited high antimicrobial activity, with substantial inhibition of E. coli, P. aeruginosa, L. monocytogenes, and S. aureus. Antifungal activity was noted, with significant inhibition of various strains. These results suggest that combining heat shock, L. plantarum S61, and orange peel juice can significantly improve the fermentation process of green olives, enhancing safety and quality.

Introduction: Medicinal herbs used in traditional diabetes treatment are a rich source of anti-diabetic compounds. Pancreatic α-amylase inhibitors offer an effective strategy to reduce postprandial hyperglycemic levels via control of starch degradation. In this context, our study for the first time investigates the effect of Crocus sativus stamens extracts on α-amylase inhibition.Material and methods: The hydromethanolic and hydroethanolic extracts were obtained by macerating the dried stamen powder with methanol/water or ethanol/water, respectively. The total phenolic content of the stamen extracts was assessed using the Folin-Ciocalteu reagent method, while the total flavonoid content was determined using the Aluminum Chloride method. Phytochemicals were further quantified and identified using HPLC-DAD. For evaluation of hypoglycemic activity, in vitro α-amylase enzyme inhibition was calculated. The results were confirmed in vivo using an oral starch tolerance test in both normal and diabetic rats.Results: Our findings demonstrated a higher level of polyphenols and flavonoids in the hydroethanolic extract. Important flavonoids found were kaempferol, rutin, and vanillic acid, while prominent carotenoids contained trans- and cis-crocins. The in vitro study showed that both hydromethanolic and hydroethanolic extracts had considerable inhibitory effects, with maximum inhibitions of approximately 83% and 89%, respectively. In vivo tests indicated that both extracts effectively lowered peak blood glucose and area under the curve in both normal and diabetic rats following oral starch treatment. The obtained results are also supported by a docking study.Conclusion: These findings imply that C. sativus stamens possess a distinctive capability to reduce postprandial blood glucose levels. This effect is likely mediated through the inhibition of α-amylase, presenting a novel dietary avenue for managing diabetes.

Salmonella typhimurium (S. typhimurium) is a leading biological factor of foodborne diseases. A sensitive detection for S. typhimurium is crucial to controlling fresh vegetable-related outbreaks. Here, fluorescence-based S. typhimurium detection in fresh cabbage samples has been reported which capitalizes on the plasmon-exciton interaction between non-spherical gold nanoparticles-covered iron oxide nanoparticles (Fe3O4@Au NPs) and gold quantum dots (Au QDs). Firstly, new synthesis methods for non-spherical Fe3O4@Au NPs and Au QDs are reported. Then, a two-fold emission enhancement and shortening of the lifetime were achieved from urchin-like NPs compared with those of spherical NPs. This finding was utilized for the detection of S. typhimurium. Results revealed that the changes in fluorescence emission were linearly correlated with the concentration of S. typhimurium within the range of 100–1000 colony forming unit per milliliter (CFU mL−1) and the limit of detection was 32 CFU mL−1 in fresh cabbage.

Abstract This study aims to investigate the chemical and mineral composition, antioxidant, analgesic, and anti-inflammatory effects of the aqueous extract of Cistus laurifolius var. atlanticus Pit. (Cistaceae). Additionally, molecular docking interactions of various ligands with antioxidant protein target urate oxidase (1R4U) and anti-inflammatory protein target cyclooxygenase-2 (3LN1), revealing potential dual activities and highlighting specific residue interactions. The chemical characterization focused at first glance on the mineral composition which showed that C. laurifolius extract is a mineral-rich source of potassium (K), magnesium (Mg), manganese (Mn), sodium (Na), phosphorus (P), and zinc (Zn). We next performed, ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) analysis, the latter showed various polyphenols in C. laurifolius extract including Gallic acid as the predominant polyphenol. Isoquercetin, Taxifolin and Astragalin were also among the major flavonoids detected. The antioxidant capacity of C. laurifolius leaves was tested using 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), 2,2-diphenyl-1- picrylhydrazyl (DPPH) and reducing power (RP) assays. In vitro analysis of the anti-inflammatory property of C. laurifolius leaves was conducted by the albumin denaturation test and the in vivo was assessed in the sequel by carrageenan-induced paw edema test. The analgesic activity was evaluated in vivo using tail flick, acetic acid-induced contortion, and plantar tests. The findings showed that the leave extract had a powerful antioxidant activity with an IC50 values of 2.92 ± 0.03 µg/mL (DPPH) and 2.59 ± 0.09 µg/mL (in RP test). The studied extract strongly abolished the induced inflammation (82%). Albumin denaturation test recorded an IC50 value of 210 µg/mL. Importantly, the oral administration of C. laurifolius extract considerably reduced the nociceptive effect of acetic acid in rats, showing a significant analgesic effect in a dose-related manner. Altogether, our results showed that C. laurifolius can be a promising source of phytochemicals for drug development potential.

Abstract The study aimed at investigating the phytochemical composition, antioxidant and antibacterial activities of essential oils (EOs) of Origanum grossii and Thymus pallidus. The selection of these plants for the study was driven by a comprehensive survey conducted in the Ribat Elkheir region of Morocco, where these plants are widely utilized. The results reflect the valorization of these plants based on the findings of the regional survey. The GC–MS phytochemical analysis revealed that the main constituents of the essential oil were carvacrol and thymol for O. grossii and T. pallidus respectively. Quantitative assays demonstrated that O. grossii exhibited higher levels of polyphenols (0.136 mg AGE/mg EO) and flavonoids (0.207 mg QE/mg EO) compared to T. pallidus. The DPPH assay indicated that O. grossii EOs possessed approximately twice the antiradical activity of T. pallidus, with IC50 values of approximately 0.073 mg/mL and 0.131 mg/mL, respectively. The antibacterial activity tests showed that both essential oils exhibited significant inhibition zones ranging from 26 to 42 mm against all tested bacterial strains. The MIC values varied among the bacteria, generally falling within the range of 0.31 to 2.44 µg/mL, demonstrating the potency of the EOs to serve as antibacterial. Molecular docking revealed that O. grossii and T. pallidus essential oils interact with antibacterial and antioxidant proteins (1AJ6 and 6QME). Key compounds in O. grossii include p-cymene, eucalyptol, and carvacrol, while T. pallidus contains potent chemicals like p-cymene, ɤ-maaliene, valencene, α-terpinene, caryophyllene, himachalene, and thymol. Notably, the most potent chemicals in Origanum grossii are p-cymene, eucalyptol, and carvacrol, while the most potent chemicals in Thymus pallidus are p-cymene, α-terpinene, and thymol. These findings suggest that these plant EOs could be used to develop new natural products with antibacterial and antioxidant activity.

The objective of this study was to explore how watermelon rinds (WMRs) and their derivatives, specifically water-soluble polysaccharides (WMRPs) and hemicellulose (WMRH), as sources of dietary fiber, could enhance the quality of wheat bread. The extraction process yielded 34.4% for WMRP and 8.22% for WMRH. WMR, WMRP, and WMRH exhibited promising functional characteristics and were incorporated separately into wheat flour with low bread-making quality (FLBM) at varying proportions (0.5%, 1%, and 1.5% (w/w)). The volume, texture, and crust and crumb color underwent evaluation and were compared to the control. The findings indicated that incorporating WMR notably enhanced the alveograph profile of the dough, demonstrating a more effective impact than the addition of WMRP and WMRH. Adding WMR, WMRP, and WMRH at a 1% concentration to low-quality wheat flour for bread making increased the deformation work values by 16%, 15%, and 13%, respectively, and raised the P/L ratios by 42%, 36%, and 38%, respectively. Additionally, the assessment of the bread highlighted a substantial enhancement in both volume and texture profile when WMR was added, in contrast to the control bread (made with FLBM). These findings underscore that incorporating 1% WMR into FLBM was the most effective means of improving bread quality based on the results of this study.

The aim of this study is to explore the pharmacological properties of the essential oil derived from Ptychotis verticillata Duby (PVEO), a medicinal plant native to Morocco, focusing on its antidiabetic, anti-tyrosinase, and anti-inflammatory effects. Additionally, the study aims to characterize the phytochemical composition of PVEO and evaluate its potential as a natural therapeutic alternative for various health conditions. To achieve this, phytochemical analysis was conducted using gas chromatography-mass spectrometry (GC-MS). Furthermore, in vitro assessments were conducted to investigate PVEO's antidiabetic activity by inhibiting α-amylase, xanthine oxidase, and α-glucosidase. Tests were also undertaken to evaluate the anti-inflammatory effect of PVEO on RAW 264.7 cells stimulated by lipopolysaccharide (LPS), as well as its efficacy as an anti-tyrosinase agent and its lipoxygenase inhibition activity. The results of the phytochemical analysis revealed that PVEO is rich in terpene compounds, with percentages of 40.35 % γ-terpinene, 22.40 % carvacrol, and 19.77 % β-cymene. Moreover, in vitro evaluations demonstrated that PVEO exhibits significant inhibitory activity against α-amylase, xanthine oxidase, and α-glucosidase, indicating promising antidiabetic, and anti-gout potential. Furthermore, PVEO showed significant anti-tyrosinase activity, with an IC50 of 27.39 ± 0.44 μg/mL, and remarkable lipoxygenase inhibition (87.33 ± 2.6 %), suggesting its candidacy for dermatoprotection. Additionally, PVEO displayed a dose-dependent capacity to attenuate the production of NO and PGE2, two inflammatory mediators implicated in various pathologies, without compromising cellular viability. The findings of this study provide a solid foundation for future research on natural therapies and the development of new drugs, highlighting the therapeutic potential of PVEO in the treatment of gout, diabetes, pigmentation disorders, and inflammation.

Introduction: This study investigates the biological activities of Lavandula pinnata essential oil (LPEO), an endemic lavender species from the Canary Islands, traditionally used in treating various ailments.Methods: LPEO was extracted by hydrodistillation and analyzed using GC-MS. Antioxidant activity was assessed by DPPH radical scavenging and total antioxidant capacity assays. Antimicrobial activity was evaluated by disc diffusion, MIC, MBC, and MFC determination against bacterial (Staphylococcus aureus, Micrococcus luteus, Escherichia coli, Pseudomonas aeruginosa) and fungal (Candida glabrata, Rhodotorula glutinis, Aspergillus niger, Penicillium digitatum) strains. Antidiabetic and anti-gout potential were investigated through α-amylase, α-glucosidase, and xanthine oxidase inhibition assays. Antityrosinase activity was determined using a modified dopachrome method. Cytotoxicity was assessed by MTT assay against breast (MCF-7, MDA-MB-468), liver (HepG2), colon (HCT-15) cancer cells, and normal cells (PBMCs).Results and discussion: LPEO exhibits potent antiradical activity (IC50 = 148.33 ± 2.48 μg/mL) and significant antioxidant capacity (TAC = 171.56 ± 2.34 μg AA/mg of EO). It demonstrates notable antibacterial activity against four strains (Staphylococcus aureus, Micrococcus luteus, Escherichia coli, and Pseudomonas aeruginosa) with inhibition zones ranging from 18.70 ± 0.30 mm to 29.20 ± 0.30 mm, along with relatively low MIC and MBC values. LPEO displays significant antifungal activity against four strains (Candida glabrata, Rhodotorula glutinis, Aspergillus niger, and Penicillium digitatum) with a fungicidal effect at 1 mg/mL, surpassing the positive control (cycloheximide), and MIC and MFC values indicating a fungicidal effect. It exhibits substantial inhibition of xanthine oxidase enzyme (IC50 = 26.48 ± 0.90 μg/mL), comparable to allopurinol, and marked inhibitory effects on α-amylase (IC50 = 31.56 ± 0.46 μg/mL) and α-glucosidase (IC50 = 58.47 ± 2.35 μg/mL) enzymes.The enzyme tyrosinase is inhibited by LPEO (IC50 = 29.11 ± 0.08 mg/mL). LPEO displays moderate cytotoxic activity against breast, liver, and colon cancer cells, with low toxicity towards normal cells (PBMC). LPEO exhibits greater selectivity than cisplatin for breast (MCF-7) and colon (HCT-15) cancer cells but lower selectivity for liver (HepG2) and metastatic breast (MDA-MB-468) cancer cells. These findings suggest the potential of LPEO as an antioxidant, antimicrobial, anti-gout, antidiabetic, and anticancer agent.

This work aims to add value to the Lavandula genus by identifying the chemical composition, antioxidant, and antimicrobial activities of two species lavender from Oulmès in Morocco; Lavandula abrialis and Lavandula stoechas. The uniqueness lies in the integrated approach that combines in vitro and in silico analyses to assess the biological properties of the essential oils (EO). The objective of this study is to enhance the significance of the Lavandula genus by analyzing the chemical composition, antioxidant properties, and antimicrobial effects of two lavender species found in Oulmès, Morocco: Lavandula abrialis and Lavandula stoechas. The distinctiveness is in the comprehensive methodology that merges in vitro and in silico investigations to evaluate the biological characteristics of the essential oils (EO). The extraction of essential oils (EO) by hydrodistillation from the aerial parts of Lavandula abrialis gave a high yield of essential oils (2.9%) compared to Lavandula stoechas (2.3%). A GC-MS analysis of the chemical composition revealed 56 chemical compounds, with some variation in the predominant components, representing between 99.98% and 100% of the EOs of the studied lavenders. Their antioxidant activity was assessed using the DPPH test. This method revealed that L. stoechas EO has a higher percentage of free radical inhibition than L. abrialis. The IC50 values demonstrate that the antioxidant activity of ascorbic acid is higher (1.62 g/mL) than the EOs of tested plants. Noteworthy, the EO of L. stoechas is more potent (12.94 g/mL) than that of Lavandula tibialis (34.71 g/mL). Regrading, the antibacterial tests, the EO of L. abrialis was particularly active against Staphylococcus aureus BLACT, which is inhibited at a concentration of 6.25 g/mL, while L. stoechas EO has a strong effect on Escherichia coli, with a MIC of 1.56 g/mL. Concerning the antifungal activity of the EOs, yeasts showed sensitivity toward EOs extracted from both L. tibialis and L. stoechas. Moreover, an in silico study was conducted targeting sarA protein of S. aureus (PDB ID: 2fnp) and NADPH oxidase from Lavandula sanfranciscensis (PDB: 2CDU) and results showed that Ishwarone and Selina-3,7 (11)-diene exhibited highest binding energy with −9.8 and −10.8 kcal/mol respectively. Therefore, these two compounds could be used as an antibacterial and antioxidant agents however more experimental and molecular study should be required.

Climate change (CC) is the menace of the hour impacting every facet of human existence. Regional CC and its impact studies are crucial in that they contribute to global change. The current study aims to investigate the prevalence of CC in Charsadda, Pakistan and its impact on vegetation and hydrology of the region to understand microclimate variability contribution to global CC. Utilizing local climate data for 20 years (2001–2020), Modified Mann-Kendall and Sen’s Slope statistics were employed to determine monthly and seasonal trends in climate variables. Significant changing climate variables were regressed on Moderate resolution Imaging Spectroradiometer (MODIS) satellite dataset viz. normalized difference vegetation index (NDVI). Due to the prominent climate factor impacting vegetation, NDVI was further correlated to MODIS land surface temperature (LST). Floods being the conspicuous climate calamity were mapped for 2005 and 2010 using satellites Landsat 5 and 7 dataset viz. normalized difference water index (NDWI) with flood risk assessment by watershed delineation. The findings revealed significant (p < 0.05) variability in climate variables (average monthly and summer maximum temperature, and average monthly and summer precipitation) that are driving CC and impacting vegetation and hydrology in the region. Temperature and solar radiation affect NDVI adversely while precipitation and relative humidity has positive impact on vegetation. NDVI varied greatly spatiotemporally, often increasing but worsening in some areas (Shabqadar, Abazai, Palai and Charsadda city with NDVI = 0.1–0.3) of the study region as a result of extreme weather events. Temporally, NDVI improved with an overall positive trend with a stage (2007–2016) of noticeable zigzag fluctuation. Spatial grids with higher LST (>40°C) were either devoid of or with sparse NDVI (

Abstract The current work attempts to explore the influence of three extraction solvents on phytochemical composition, content of polyphenols, antioxidant potential, and antibacterial capacity of hydroethanolic, acetonic, and aqueous extracts from Moroccan Mentha longifolia leaves. To achieve this goal, the chemical composition was identified using an HPLC–DAD examination. The contents of polyphenols were assessed, while the total antioxidant capacity (TAC), the DPPH test, and the reducing power test (RP) were utilized to determine antioxidant capacity. To assess the antibacterial activity, the microdilution technique was carried out to calculate the minimum inhibitory (MIC) and minimum bactericidal concentrations (MBC) of extracts against four nosocomial bacteria (Bacillus cereus, Pseudomonas aeruginosa , Escherichia coli , Staphylococcus aureus). Additionally, the antibacterial and antioxidant activities of all tested extracts were examined in silico against the proteins NADPH oxidase and Bacillus cereus phospholipase C. Study reveals that M. longifolia extracts contain high phenolic and flavonoids. Additionally, the hydroethanolic extract contained the highest amounts of phenolic and flavonoid content, with values of 23.52 ± 0.14 mg Gallic acid equivalent/g dry weight and 17.62 ± 0.36 mg Quercetin Equivalent/g dry weight, respectively compared to the other two extracts. The same extract showed the best antioxidant capacity (IC50 = 39 µg/mL ± 0.00), and the higher RP (EC50 of 0.261 ± 0.00 mg/mL), compared to the acetonic and aqueous extract regarding these tests. Furthermore, the hydroethanolic and acetonic extracts expressed the highest TAC (74.40 ± 1.34, and 52.40 ± 0.20 mg EAA/g DW respectively), compared with the aqueous extract. Regarding antibacterial activity, the MIC value ranges between 1.17 and 12.50 mg/mL. The in-silico results showed that the antibacterial activity of all extracts is principally attributed to kaempferol and ferulic acid, while antioxidant capacity is attributed to ferulic acid.

Abstract Ocimum aristatum, commonly known as O. stamineus, has been widely studied for its potential as an herbal medicine candidate. This research aims to compare the efficacy of water and 100% ethanolic extracts of O. stamineus as α-glucosidase inhibitors and antioxidants, as well as toxicity against zebrafish embryos. Based on the study findings, water extract of O. stamineus leaves exhibited superior inhibition activity against α-glucosidase, ABTS, and DPPH, with IC50 values of approximately 43.623 ± 0.039 µg/mL, 27.556 ± 0.125 µg/mL, and 95.047 ± 1.587 µg/mL, respectively. The major active compounds identified in the extract include fatty acid groups and their derivates such as linoleic acid, α-eleostearic acid, stearic acid, oleanolic acid, and corchorifatty acid F. Phenolic groups such as caffeic acid, rosmarinic acid, 3,4-Dihydroxybenzaldehyde, norfenefrine, caftaric acid, and 2-hydroxyphenylalanine and flavonoids and their derivates including 5,7-Dihydroxychromone, 5,7-Dihydroxy-2,6-dimethyl-4H-chromen-4-one, eupatorin, and others were also identified in the extract. Carboxylic acid groups and triterpenoids such as azelaic acid and asiatic acid were also present. This study found that the water extract of O. stamineus is non-toxic to zebrafish embryos and does not affect the development of zebrafish larvae at concentrations lower than 500 µg/mL. These findings highlight the potential of the water extract of O. stamineus as a valuable herbal medicine candidate, particularly for its potent α-glucosidase inhibition and antioxidant properties, and affirm its safety in zebrafish embryos at tested concentrations.

Abstract The Middle Atlas is a Moroccan territory that serves as an abode to plants with incredible biodiversity, of which aromatic and medicinal plants that have been of folkloric use are a significant component. However, their effective utilization in modern medicine requires the characterization of their phytochemicals to facilitate their entry into drug discovery pipelines. Hence, this study aimed to characterize and investigate the antioxidant activity and antimicrobial effects of the essential oils (EOs) of Salvia lavandulifolia subsp. mesatlantica and Salvia officinalis L. by use of in vitro and in silico assays. Ten phytochemicals were identified in the EOs of S. lavandulifolia, while twenty phytochemicals were identified in S. officinalis. Camphor was the most abundant compound in both species, comprising 26.70% and 39.24% of the EOs of S. lavandulifolia and S. officinalis, respectively. The EOs of both plants exhibited significant DPPH free radical scavenging activity, with S. lavandulifolia and S. officinalis showing estimated scavenging rates of 92.97% and 75.20%, respectively. In terms of Ferric Reducing Antioxidant Power (FRAP), S. officinalis demonstrated a higher value (72.08%) compared to that of S. lavandulifolia (64.61%). Evaluation of the antimicrobial effects of the EOs of S. officinalis and S. lavandulifolia against microorganisms revealed bactericidal activities against Proteus mirabilis and Bacillus subtilis at low concentrations. It showed bactericidal activities against Staphylococcus aureus and Candida albicans at a relatively higher concentration. Molecular docking of antioxidant and antimicrobial proteins offers significant insights into ligand–protein interactions, facilitating the development of innovative therapeutics from the current study. Ultimately, this study identified the phytochemical composition of S. lavandulifolia and S. officinalis and highlighted their potential for therapeutic discovery.

This study focused on developing an innovative, straightforward, and economical method utilizing a mixture of readily available solvents to extract arborescin (C2OH2OO8) crystals from Artemisia absinthium L. (A. absinthium). The structural elucidation and characterization were conducted using a suite of techniques including IR spectroscopy, CNHSO elemental analysis, scanning electron microscopy and energy dispersive X-ray spectroscopy (SEM-EDS), and mass spectroscopy (MS). Density functional theory (DFT) calculations were employed to determine the molecular properties. Antioxidant activity was measured using the DPPH radical scavenging assay and the β-carotene bleaching test. Antimicrobial efficacy was assessed against four bacterial strains and three fungal strains. The molecular docking approach was employed to predict the probable binding patterns and affinities of arborescin with specific target biomolecules. Employing an array of analytical techniques, examination of the isolated crystal from A. absinthium. led to its comprehensive structural elucidation. IR spectroscopy revealed the presence of distinctive functional groups, including a carbonyl group within the γ-lactone and an epoxy group. CNHSO elemental analysis verified that the crystal contained only carbon, hydrogen, and oxygen, a finding corroborated by SEM-EDS analysis, consistent with the molecular structure of arborescin. Additionally, mass spectrometry confirmed the identity of the compound as arborescin, with a molecular ion with a mass m/z = 248. Quantum-Chemical Descriptors revealed that arborescin is resistant to elementary decomposition under standard conditions. Although arborescin demonstrates a relatively low antioxidant capacity, with an IC50 of 5.04 ± 0.12 mg/mL in the DPPH assay, its antioxidant activity in the β-carotene bleaching test was found to be 3.64%. Remarkably, arborescin effectively inhibits the growth of Staphylococcus aureus and Listeria innocua at low concentrations (MIC = 166 µg/mL). Additionally, it exhibits significant antifungal activity against Candida glabrata, with a minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) of 83 µg/mL and 166 µg/mL, respectively. In this study, arborescin exhibited a robust docking score of −8.1 kcal/mol, indicating a higher affinity compared to ciprofloxacin. This suggests that arborescin has significant potential as a potent antibacterial agent.

The purpose of this study was to evaluate the vitamin D status and determine the factors influencing it in the Drâa-Tafilalet community (southeastern Morocco). Sociodemographic factors, health, cognitive status, sun exposure, and nutritional conditions were examined to help us understand their association with vitamin D status. Vitamin D data were gathered through laboratory testing, while demographic and health information was collected through interviews with participants in 2023. The study involved 100 participants aged 60 and above, most of whom were women (85%) rather than men (15%). The majority of participants were Arabs (90%), with a minority being Amazigh (10%). The average vitamin D level was 31.83 ± 10.55 ng/mL, varying based on participants’ age, education, and gender. Sun-exposed individuals exhibited significantly higher mean vitamin D levels (33.56 ± 11.99 ng/mL) compared to those with limited sun exposure (28.97 ± 9.28 ng/mL). Moreover, the time spent outdoors, seasonal changes, and the duration of sun exposure affected the levels of vitamin D. These findings depict the vitamin D status of the elderly population of Drâa-Tafilalet, recognized as one of Morocco’s poorest regions, shedding light on the significant influencers. Nonetheless, additional research is necessary to explore the correlation between dietary habits, sunlight exposure, and vitamin D levels in both young and elderly populations.

A new class of thiophene-based molecules of 5-bromothiophene-2-carboxylic acid (1) have been synthesized in current research work. All analogs 4A–4G were synthesized with optimized conditions by coupling reactions of 2-ethylhexyl 5-bromothiophene-2-carboxylate (3) with various arylboronic acids. The results indicated that the majority of compounds showed promising effective in vitro antibacterial activity. Herein, 2-ethylhexyl-5-(p-tolyl)thiophene-2-carboxylate (4F), in particular among the synthesized analogs, showed outstanding antibacterial action (MIC value 3.125 mg/mL) against XDR Salmonella Typhi compared to ciprofloxacin and ceftriaxone. The intermolecular interaction was investigated by using a molecular docking study of thiophene derivatives 4A–4G against XDR S. Typhi. The values of the binding affinity of functionalized thiophene molecules and ciprofloxacin were compared against bacterial enzyme PDB ID: 5ztj. Therefore, 4F appears to be a promising antibacterial agent and showed the highest potential value. Density functional theory (DFT) calculations were executed to examine the electronic, structural, and spectroscopic features of the newly synthesized molecules 4A–4G.

Background: Apolipoprotein E (APOE) gene polymorphism has been implicated in the pathogenesis of various metabolic disorders, including type 2 diabetes mellitus (T2DM). Type 2 diabetes mellitus (T2DM) is a major public health concern worldwide, including in Pakistan. Cardiovascular problems linked with T2DM have a significant impact on individuals and society. The goal of this study is to investigate the relationship between Apolipoprotein E (ApoE) genotypes, dyslipidemia, and cardiovascular complications such as ischemic heart disease (IHD) and stroke. Methods: This study was carried out on 260 subjects divided into controls and diabetics. The diabetics were further divided into four subgroups such as D1: diabetics without cardiovascular issues, D2: diabetics with heart disease, D3: diabetics with stroke, and D4: diabetics with both heart disease and stroke. Anthropometric parameters (age, BMI) and risk factors (smoking, diabetes duration, hypertension) were assessed in all groups. Serum levels of TC, TG, LDL, HDL, VLDL, creatinine, BSF, and HbA1c were also measured. Apolipoprotein E gene polymorphism was determined using PCR-RFLP. Results: Hypertension, BMI, and dyslipidemia are defined as elevated levels of total cholesterol, triglycerides, LDL, and VLDL, and decreased levels of HDL. Uncontrolled hyperglycemia (elevated fasting blood sugar and glycated hemoglobin) in T2DM was linked to vascular complications such as IHD and stroke. Hypertension was prevalent in 79.3% of the population. Stage 2 hypertension was more prevalent in all age groups. It was also noted that common genotypes in the Pakistani population are 3/3, 4/4, 2/3, and 3/4. The frequency of genotypes 3/4 and 2/3 is highest in diabetics with stroke. Genotype 3/3 is present frequently in diabetics with IHD/stroke and patients with both these complications. However, genotype 4/4 is most frequently found in diabetics with IHD. Conclusions: It is concluded that BMI, hypertension, hyperglycemia, atherosclerosis, and dyslipidemia are linked with cardiovascular complications of type 2 diabetes. Apolipoprotein E gene polymorphism is associated with cardiovascular disease in patients with diabetes by affecting the lipid profile.

Our research focused on assessing essential oils (MSEO) and aqueous extracts (MSAE) derived from M. subtomentella leaves, with a primary focus on evaluating their properties. From 1 kg of leaves, we successfully obtained 18 mL of essential oil. Upon conducting GC/MS analysis, we identified eleven compounds within the oil, collectively accounting for 100% of the constituents identified. Notably, the predominant compounds in the leaf oil were p-Menth-48) -en-3-one (50.48%), 9-Ethylbicyclo (3.3.1) nonan-9-ol (10.04%) (E)-3,3-Dimethyl-delta-1, alpha-cyclohexaneacetaldehyde (8.53%), and D-Limonene (7.22%). Furthermore, utilizing HPLC/DAD, we explored the phenolic profile of MSAE, extracted through decoction. This analysis revealed the presence of fifty-eight compounds, with five major components collectively constituting 61% of the total compounds identified, rosmarinic acid as the major one. We evaluated the antimicrobial effectiveness of the MSEO against ten different strains, observing its notable efficacy against A. Niger (MIC = 0.09%), P. digitatum (MIC = 0.5%), and G. candidum (MIC = 1%). However, the essential oil demonstrated comparatively lower efficacy against bacteria than fungi. In contrast, the MSAE did not exhibit any antimicrobial activity against the tested strains. Regarding antioxidant activity, the aqueous extract displayed a significantly higher antioxidant capacity than the essential oil, which exhibited relatively lower antioxidant activity. The IC50 values were determined to be 0.04 ± 0.01 mg/mL, 0.17 ± 0.01 mg/mL, and 13% ± 0.01% (V/V), for ascorbic acid MSAE and MSEO, respectively. We used a computational method called molecular docking to investigate how certain plant compounds affect antioxidant, antibacterial, and antifungal activities. This involved analyzing the interactions between these compounds and specific protein targets known for their roles in these activities.

This study explored the effect of different drying methods (sun, shade, oven) on the total polyphenol content (TPC) using the Folin–Ciocalteu (FC) procedure, total flavonoid content (TFC) using the AlCl3 colorimetric method, volatile organic compounds using GC/MS and the antioxidant properties of the rose petals using the protocol of DPPH assy. The results demonstrated that the drying methods had a significant impact and the highest TPC (34.24 mg gallic acid equivalent (GAE)/ g fresh weight (FW)) and TFC (5.56 mg catechin equivalent (CE)/g FW) were obtained for the oven-dried sample. While, the fresh sample exhibited the lowest TPC (15.6 mg GAE/g FW) and TFC (3.83 mg CE/g FW), respectively. Similarly, the oven-dried sample showed the highest DPPH scavenging activity (60.30 %) and reducing power (absorbance 1.138) among all the samples. Fresh rose sample GC–MS analysis revealed that the there are two major compounds heptacosane 64.56 % and citronellyl propionate 28.35 %. Pentadecyl 2-phenylethyl ester oxalic acid was the second dominant compound in sun and oven-dried rose samples, 18.5 % and 14.79 % respectively.

Innovative approaches are urgently required to treat divestating bacterial diseases in the face of rising bacterial resistance rates. The current investigative work focused on hydro-distilling Tasmanian blue gum (Eucalyptus globulus) to isolate the essential oil, which was then tested for bioactivity, antioxidant capacity, and antibacterial activity using in-vitro and in silico assays. The antioxidant activity was avualated against DPPH and FRAP. With results of 69.63 RSA (%) (µL/L AAE) at a concentration of 5 mL/L and 51.56 (µL/L AAE) at concentration of 90 ppm in the 2,20-diphenyl-1-picryl hydrazyl (DPPH) and ferric reducing antioxidant power (FRAP) assays, respectively, the extracted oil indicated considerable antioxidant activity. The extracted oil demonstrated powerful antibacterial activity in in-vitro tests against both Gram-positive and Gram-negative bacterial strains, including Bordetella bronchiseptica (21 mm), Staphylococcus epidermidis (19 mm), and Staphylococcus aureus (19 mm), with significant minimal inhibitory (MIC) and minimum bactericidal (MIB) concentrations. Additionally, GC-MS analysis of the oil from E. globulus identified several low-molecular-weight compounds, including Eucalyptol, γ-Terpinene, Shisool acetate, 1,3-trans,5-cis-Octatriene, 2,6-Dimethyl-1,3,5,7-octatetraene, E,E, Cyclohexene, 1-methyl-4-(1-methylethylidene), Benzene, 1-methyl-4-(1-methylethenyl), Butanoic acid, 3-methyl-, 3-methylbutyl ester, and 1,3,8-p-Menthatriene. Several other compounds were also identified, including Fenchol, 2-Methyl-trans-3a,4,7,7a-tetrahydroindane, (E,E,E)-2,4,6-Octatriene, 1,2,3,6-Tetrahydrobenzylalcohol, acetate, Alloaromadendrene, Phenol, 2-ethyl-4,5-dimethyl, Phenol, 2-methyl-5-(1-methylethyl)-, p-Cymen-7-ol, 1,5,5-Trimethyl-6-methylene-cyclohexene, 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-, 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z), and more. The bioactive potential of Eucalyptus globulus essential oil against 1AJ6 and 1R4U was highlighted by molecular docking analyses, suggesting its utility as a natural source of antioxidant and antibacterial compounds with the potential to replace chemical disinfectants in a variety of applications.

Aldose reductase (AR) is an important target in the development of therapeutics against hyper-glycemia-induced health complications such as retinopathy, etc. In this study, we employed a combination of structure-based drug design, molecular simulation, and free energy calculation approaches to identify potential hit molecules against anti-diabetic (anti-hyperglycemic)-induced health complications. The 3D structure of aldoreductase was screened for multiple compound libraries (1,00,000 compounds) and identified as ZINC35671852, ZINC78774792 from the ZINC database, Diamino-di nitro-methyl dioctyl phthalate, and Penta-o-galloyl-glucose from the South African natural compounds database, and Bisindolylmethane thiosemi-carbazides and Bisindolylme-thane-hydrazone from the Inhouse database for this study. The mode of binding interactions of the selected compounds later predicted their aldose reductase inhibitory potential. These com-pounds interact with the key active site residues through hydrogen bonds, salt bridges, and π-π interactions. The structural dynamics and binding free energy results further revealed that these compounds possess stable dynamics with excellent binding free energy scores. The structures of the lead inhibitors can serve as templates for developing novel inhibitors, and in vitro testing to confirm their anti-diabetic potential is warranted. The current study is the first to design small molecule inhibitors for the aldoreductase protein that can be used in the development of therapeutic agents to treat diabetes.

Abstract Background Norovirus is a common pathogen that causes foodborne outbreaks every year and the increasing number of deaths caused by it has become a substantial concern in both developed and underdeveloped countries. To date, no vaccines or drugs are able to control the outbreak, highlighting the importance of finding specific, and sensitive detection tools for the viral pathogen. Current diagnostic tests are limited to public health laboratories and/or clinical laboratories and are time-consuming. Hence, a rapid and on-site monitoring strategy for this disease is urgently needed to control, prevent and raise awareness among the general public. Results The present study focuses on a nanohybridization technique to build a higher sensitivity and faster detection response to norovirus-like particles (NLPs). Firstly, the wet chemical-based green synthesis of fluorescent carbon quantum dots and gold nanoparticles (Au NPs) has been reported. Then, a series of characterization studies were conducted on the synthesized carbon dots and Au NPs, for example, high-resolution transmission emission microscopy, fluorescence spectroscopy, fluorescence life-lime measurement, UV–visible spectroscopy, and X-ray diffraction (XRD). The fluorescence emission of the as-synthesized carbon dots and the absorption of Au NPs were located at 440 nm and 590 nm, respectively. Then, the plasmonic properties of Au NPs were utilized to enhance the fluorescence emission of carbon dots in the presence of NLPs in human serum. Here, the enhanced fluorescence response was linearly correlated up to 1 μg mL−1. A limit of detection (LOD) value was calculated to be 80.3 pg mL−1 demonstrating that the sensitivity of the proposed study is 10 times greater than that of the commercial diagnostic kits. Conclusions The proposed exciton-plasmon interaction-based NLPs-sensing strategy was highly sensitive, specific, and suitable for controlling upcoming outbreaks. Most importantly, the overall finding in the article will take the technology a step further to applicable point-of-care (POC) devices.

Aqueous extracts of Marrubium vulgare L. (M. vulgare) are widely used in traditional medicine for their therapeutic effects. Hence, this study aims to evaluate in vitro, in vivo, and in silico the biological activities of M. vulgare aqueous extract to further support their traditional use. Qualitative phytochemical tests of M. vulgare extracts showed the presence of primary and secondary metabolites, while quantitative analyses recorded revealed the contents of total phenols, flavonoids, and tannins, with values of 488.432 ± 7.825 mg/EAG gallic acid extract/g, 25.5326 ± 1.317 mg/EQ Quercetin extract/g and 23.966 ± 0.187 mg/EC catechin extract/g, respectively. Characterization of the phytochemical constituents of the extract revealed the presence of catechin and maleic acid as the most abundant while the evaluation of the antioxidant power revealed that the extract possesses significant antioxidant capacity, antimitotic potential, and antimicrobial properties against Streptococcus agalactiae and Staphylococcus epidermidis among many others. The antidiabetic activity of the extract showed a potent antihyperglycemic effect and a significant modulation of the pancreatic α-amylase activity as revealed by both in vitro and in vivo analysis, while an in silico evaluation showed that chemicals in the studied extract exhibited the aforementioned activities by targeting 1XO2 antimitotic protein, W93 antidiabetic protein and 1AJ6 antimicrobial protein, which revealed them as worthy of exploration in drug discovery odyssey. Conclusively, the result of this study demonstrates the numerous biological activities of M. vulgare and gives credence to their folkloric and traditional usage.

Leptadenia pyrotechnica is considered a wild herb used to enhance the palatability of food, particularly in the Gulf region. The effect of microwave (5, 8, and 10 min at 900 W) and hot-air heating (60, 120, and 180 min at 100 °C) on the phenolic compounds and antioxidants of L. pyrotechnica stems was investigated. The results showed that microwave heating gave high values of the total phenolic content (TPC), total flavonoid content (TFC), and antioxidant properties, while the control sample was inferior in all these attributes. Moreover, microwave heating, particularly for 8 min, produced the highest TPC, TFC, and DPPH values (significant at p < 0.05) and reduced power in the L. pyrotechnica stem. However, prolonging the heating time caused adverse effects on the bioactive potential of the samples. The HPLC analysis indicates that both processes caused a significant increment in the phenolic compounds of the sample. Tannic acid, vanillin, and acetyl salicylic acid were found to be higher in the microwaved-treated samples than in those heated with hot air. The tannic acid was found to be high after microwave heating for 8 min at 116.06 mg/100 g, while the higher value of acetylsalicylic acid 119.08 mg/100 g was observed after microwave heating for 5 min. The partial least regression (PLS) validation model revealed that microwave heating, particularly at an 8 min application time, offered better results, and owing to its short processing time, which might be adopted for heating the L. pyrotechnica stems in the food industry, and it can be useful for preparing functional foods.

Background: Since their existence on earth, humans have used herbal medicine to meet their requirements for medication. The aim of the study: This work refers to a study conducted to carry out an ethnopharmacological survey of medicinal plants used for the treatment of cancer in Fez-Meknes region of Morocco. Material and Methods: To achieve this goal, 300 informants including 237 local people and 63 herbalists. They were requested to fill a survey related questionnaire aiming at the collection of data about the addressed objective. Informants were asked about the vernacular names, parts of medicinal plants used, mode of preparation, route of administration, reference area as well as the ecological distribution. The Relative Frequency of Citation (RFC) and Fidelity Level (FL) were calculated to identify the most effective plants recommended by informants for disease treatment. Results: The findings obtained in the present survey revealed that 94 species belonging to 47 families have been used for cancer treatment in the region of Fez-Meknes. Fruits, leaves, and seeds are the most commonly used plant parts, by the time powder and infusion arethe most common methods used fordrug preparations. Conclusion: This work may contribute towards the society as it provides interesting data on traditional medicinal knowledge of medicinal plantsused to fight cancer.

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.

Satureja calamintha nepeta (S. calamintha) has a history of successful use in the treatment of bacterial and fungal diseases. The present study was designed to investigate the chemical composition and antioxidant and antimicrobial activities of essential oils extracted from wild S. calamintha (EOSS) and domesticated S. calamintha (EOSD) for comparison purposes. Hydrodistillation was used to extract the essential oils (EOs), while GC/MS was used for chemical analysis. Antioxidant activity was studied using DPPH and FRAP assays. Antifungal activity was performed against Candida albicans, Aspergillus niger, Aspergillus flavus, and Fusarium oxysporum), while antibacterial activity was tested against clinically resistant bacteria, namely Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Proteus mirabilis. By using ab=n in silico approach, the antioxidant and antimicrobial activities of the main compounds of EOSS and EOSD were also investigated. The yields obtained of EOSS and EOSD were 2.80% and 1.95%, respectively, with a dominance of eucalyptol, pulegone and rotundifolone. Concerning the antioxidant power, the IC50 values recorded by the use of the DPPH assay were in the range of 23.03 ± 4.30 and 24.09 ± 4.38 μg/mL for EOSS and EOSD, respectively, while by using the FRAP assay, the EC50 values were in the range of 55.38 ± 2.16 and 60.72 ± 7.71 μg/mL for EOSS and EOSD, respectively. Importantly, both essential oils of EOSS and EOSD exhibited good antibacterial activity against all studied bacteria; notably, the inhibition zone ranged from 14 ± 0.00 to 48.67 ± 1.15 mm and the MICs ranged from 0.37 ± 0.00 to 5.96 ± 0.00 µg/mL. Similarly, the studied EOs showed important antifungal activities compared to all the studied fungi, wherein the inhibition percentage ranged from 47.33 ± 1.15 to 89.18 ± 0.75%, while the MICs ranged from 0.18 ± 0.00 to 2.98 ± 0.00 µg/mL. The molecular docking results showed that piperitenone and pulegone strongly inhibited human acetylcholinesterase, whereas (+)-Isomenthone and piperitenone strongly inhibited S. aureus nucleoside diphosphate kinase, and E. coli beta-ketoacyl-[acyl carrier protein] synthase, respectively. The outcome of this article suggests that EOs of S. calamintha can be developed as alternative agents to manage drug-resistant phenomena and free radical issues.

The present study investigated the antioxidant and antimicrobial activities as well as characterized the chemical composition of the essential oils (EO) isolated from Artemisia flahaultii (EOF). EOF was extracted using hydro-distillation, and the chemical composition of EOF was ascertained by gas chromatography coupled with mass spectrometry (GC/MS). To assess antioxidant capacity, three tests were used: the 2,2-diphenyl-1-picrylhydrazil (DPPH), the total antioxidant capacity (TAC) and the ferric-reducing antioxidant power (FRAP) test. The antimicrobial activity of EOF was investigated using the diffusion assay and minimal inhibitory concentration assays (MICs). By use of in silico structure–activity simulations, the inhibitory potency against nicotinamide adenine dinucleotide phosphate (NADPH), physicochemical characters, pharmaco-centric properties and absorption, distribution, metabolism, excretion (ADME) characteristics of EOF were determined. GC/MS analysis reveals 25 components majorly composed of D-Limonene (22.09%) followed by β-pinene (15.22%), O-cymene (11.72%), β-vinylnaphthalene (10.47%) and benzene 2,4-pentadiynyl (9.04%). The capacity of DPPH scavenging by EOF scored an IC50 of 16.00 ± 0.20 µg/mL. TAC revealed that the examined oils contained considerable amounts of antioxidants, which were determined to be 1094.190 ± 31.515 mg ascorbic acid equivalents (AAE)/g EO. Results of the FRAP method showed that EOF exhibited activity with EC50 = 6.20 ± 0.60 µg/mL. Values for minimal inhibitory concentration (MIC) against certain clinically important pathogenic bacteria demonstrate EOF’s potent antibacterial activity. MIC values of 1.34, 1.79, and 4.47 μg/mL against E. coli, B. subtilis and S. aureus were observed respectively. EOF exhibited significant antifungal activities against two stains of fungi: F. oxysporum and C. albicans, with values of 10.70 and 2.23 μg/mL, respectively. Of the total, 25 essential oils were identified. 2,4-Di-tert-butylphenol and capillin were the most active molecules against NADPH. The ADME prediction revealed that EOF was characterized by useful physicochemical characteristics and pharmaco-centric properties. The findings of this study show that the EOF can be used as an alternative to treat microbial resistance. Based on the in silico studies, EOF can be used as an “eco-friendly” NADPH inhibitor.

Salvia lavandulifolia Vahl essential oil is becoming more popular as a cognitive enhancer and treatment for memory loss. It is high in natural antioxidants and has spasmolytic, antiseptic, analgesic, sedative, and anti-inflammatory properties. Its aqueous extract has hypoglycemic activity and is used to treat diabetic hyperglycemia, but few studies have focused on it. The objective of this work is to evaluate the various biological and pharmacological powers of Salvia lavandulifolia Vahl leaf aqueous extract. Quality control of the plant material was first carried out. Followed by a phytochemical study on the aqueous extract of S. lavandulifolia leaves, namely phytochemical screening and determination of total polyphenols, flavonoids, and condensed tannins contents. Then, the biological activities were undertaken, in particular the antioxidant activity (total antioxidant activity and trapping of the DPPH° radical) and the antimicrobial activity. The chemical composition of this extract was also determined by HPLC-MS-ESI. Finally, the inhibitory effect of the α-amylase enzyme as well as the antihyperglycaemic effect was evaluated in vivo in normal rats overloaded with starch or D-glucose. The aqueous extract obtained by use of the decoction of leaves of S. lavandulifolia contains 246.51 ± 1.69 mg EQ of gallic acid/g DE, 23.80 ± 0.12 mg EQ quercetin/g DE, and 2.46 ± 0.08 mg EQ catechin /g DE. Its total antioxidant capacity is around 527.03 ± 5.95 mg EQ of ascorbic acid/g DE. At a concentration of 5.81 ± 0.23 µg/mL, our extract was able to inhibit 50% of DPPH° radicals. Moreover, it showed bactericidal effect against Proteus mirabilis, fungicidal against Aspergillus niger, Candida albicans, Candida tropicalis, and Saccharomyces cerevisiae, and fungistatic against Candida krusei. A marked antihyperglycemic activity (AUC = 54.84 ± 4.88 g/L/h), as well as a significant inhibitory effect of α-amylase in vitro (IC50 = 0.99 ± 0.00 mg/mL) and in vivo (AUC = 51.94 ± 1.29 g/L/h), is recorded in our extract. Furthermore, its chemical composition reveals the presence of 37.03% rosmarinic acid, 7.84% quercetin rhamnose, 5.57% diosmetin-rutinoside, 5.51% catechin dimer, and 4.57% gallocatechin as major compounds. The antihyperglycemic and α-amylase inhibitory activities, associated with the antioxidant properties of S. lavandulifolia, justify its use in the treatment of diabetes in traditional medicine and highlight its potential introduction into antidiabetic drugs.

Essential oils (EO) of Origanum compactum Benth. (O. compactum) are well known for their biological and pharmacological activities. This study aimed to assess the chemical composition, antifungal, insecticidal and repellent activities of EO of O. compactum used in the Mediterranean diet. Phytochemical screening was conducted using gas chromatography-mass spectrometry (GC/MS). Antifungal activity was tested by the disc diffusion method followed by a minimal inhibitory concentration (MIC) assay against Candida albicans (C. albicans), Aspergillus flavus (A. flavus), Aspergillus niger (A. nige), and Fusarium oxysporum (F. oxysporum). Repellent potential and toxicity of EO by contact and inhalation were tested against Callosobruchus maculatus (C. maculatus). The yield of essential oil obtained by hydrodistillation of O. compactum was 4.41 ± 0.35%, mainly composed of Carvacrol (38%) and Thymol (31.46%). Regarding antifungal activity, the results revealed a wide antifungal spectrum of the studied EO against the tested strains, which reached 100% growth inhibition, especially against A. niger and C. albicans even at the lowest MIC values (3.125 μg/mL). Concerning insecticidal activity, the EO caused total mortality of C. maculatus adults at a dose of 20 μL/L air with LC50 value of 5.3 μL/L air. A significant reduction in the number of eggs and emergence was proportionally recorded with increasing doses up to 100% at 20 μL/L air. For repellent activity, the studied EO showed a moderate repellent activity with an average percentage of 39.16%. The outcome of this work revealed that O. Compactum EO could be a sustainable and environmentally friendly alternative bioinsecticide and bio-fungicide to replace the chemically synthesized forms.

Callosobruchus maculatus (Fab.) (C. maculatus) is one of the major pests of legume seeds in storage causing significant damage, leading to food insecurity and low income for farmers. This work was planned to develop eco-friendly agents from essential oils of Artemisia herba alba Asso. (AEO), Maticaria Recutita L. (MEO), and Dittrichia Viscosa L. (DEO) to control C. maculatus. To achieve this goal, essential oils (EOs) were extracted by hydro-distillation using Clevenger apparatus before being characterized by GC-MS. EOs were used for testing purposes using three different tests, namely, inhalation toxicity, contact toxicity, and repellency tests. GC-MS analysis of EOs showed the presence of 16 potentially active compounds in AEO and 38 in MEO, whilst 15 compounds were identified in DEO. AEO was higher in thujone (57.6%) and chrysanthenone (11.8%). Santolina alcohol (40.7%) and germacrene D (8.9%) were the major compounds identified in MEO, whereas isocostic acid (72.3%) was the chief compound of DEO. The obtained findings showed that the studied EOs showed considerable insecticidal activity against C. maculatus with a lethal dose (LC50) of 3.78, 8.86, and 14.34 μL/1 liter of air by AEO, MEO, and DEO, respectively. At 1 μL/1 liter of air, the oviposition reduction rate was 90.02%, 70.65%, and 48.23% by AEO, MEO, and DEO, respectively, whereas the emergence reduction rate was 87.32%, 60.08%, and 32.24% by AEO, MEO, and DEO, respectively. With increasing doses up to 20 μL/L, the reduction of individual emergence reached 98.8% by AEO of 24 h after treatment. AEO, MEO, and DEO showed significant repellent effects against adults of C. maculatus with repulsion percentages of 60.83%, 50.83%, and 72.5%, respectively. The outcome of this work suggests that the essential oils of the studied plants, particularly Artemisia herba alba Asso. oils, can constitute a natural and environmentally friendly alternative to develop new bioinsecticides for the control of C. maculatus.