Background:Farsetia aegyptia and Zilla spinosa belonging to the Brassicaceae family, well-known for their biological and therapeutic activities. Objective:To our knowledge, this is the first comprehensive study to explore the composition, antibacterial, anticandidal, antibiofilm activities using in vitro, and molecular docking analysis assays of F. aegyptia and Z. spinosa herb extracts collected from the Hail region of Saudi Arabia. Methods:The antibacterial and anticandida effects of chloroform, ethanolic, and aqueous extracts from the aerial parts of F. aegyptia and Z. spinosa were determined by conventional assays. The compositions of extracts were determined by Gas Chromatography-Mass Spectrometry (GC-MS) and High-Resolution Liquid Chromatography-Mass Spectrometry (HR-LC-MS). Molecular docking simulations were carried out with the major identified compounds against penicillin-binding protein 4. Results:The chloroform and ethanolic extracts of these plants exhibited substantial activities against Enterococcus faecalis ATCC 29212, and Listeria monocytogenes ATCC 19115, with minimum inhibitory concentration (MIC), minimal bactericidal concentration (MBC) levels varying between 625 and 2,500 μg/mL, and MBC/MIC was equal to 1. The chloroformic extract of F. aegyptia demonstrated the most significant anticandidal activity against Candida albicans ATCC 90028 and Candida krusei ATCC 6258, with MIC of 625 μg/mL. Interestingly, the chloroform extract of F. aegyptia demonstrated the most important antibiofilm activity against Staphylococcus aureus, with Minimum Biofilm Inhibition Concentration (MBIC50) of 700 μg/mL, while the chloroform extract of Z. spinosa showed the most potent antibiofilm activity against Pseudomonas aeruginosa ATCC 27853 with MBIC50 = 630 μg/mL. Candida albicans showed the highest sensitivity to the ethanolic extract of Z. spinosa, with MBIC50 = 660 μg/mL. The GC-MS analysis identified β-sitosterol (40.39%), stigmasterol (22.24%), and coumarin (9.25%), as the main components of Z. spinosa; and linolenic acid (12.68%), linolenic acid ethyl ester (7.31%), arachidonic acid (6.96%), and (Z)-13-docosenamide (6.47%) as predominant compounds in F. aegyptia. The docking analysis revealed that the key compound stigmasterol from Z. spinosa served as superior ligands, penicillin-binding protein four (PBP4) (-7.7 kcal/mol). Conclusion:These findings highlight the powerful antimicrobial and antibiofilm activities of F. aegyptia and Z. spinosa, and supporting their prospective role in developing novel anti-infective agents.

BackgroundEssential oils are a rich source of secondary metabolites with diverse chemical and functional properties.ObjectiveThis study aimed to analyze the chemical composition of Anisosciadium lanatum Boiss. [Apiaceae] essential oil and to evaluate its bioactivity profile, including cytotoxicity, enzymatic inhibition (α-amylase and lipoxygenase), and antibacterial effects, as well as its chemical radical-scavenging capacity. In silico simulations, including molecular docking and ADME profiling, were performed to uncover the molecular basis of the observed effects and chemical interactions.MethodsThe chemical composition was determined via Gas Chromatography-Mass Spectrometry (GC-MS). The antioxidant capacity was evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging, β-Carotene bleaching, and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical cation assays. Biological evaluation included a cell-based in vitro cytotoxicity assay (MTT), enzymatic inhibition assays (α-amylase and lipoxygenase), and antibacterial testing through MIC/MBC determination.ResultsGC-MS analysis identified isopulegol (22.39%), longifolene (19.73%), and β-asarone (11.27%) as the major metabolites. The oil demonstrated a high chemical scavenging capacity with SC50 values of 0.019 ± 0.010 mg/mL (DPPH), 0.041 ± 0.040 mg/mL (ABTS+), and 0.094 ± 0.010 mg/mL (β-carotene bleaching). In biological models, cytotoxicity in HEK-293 cells revealed an IC50 value of 0.060 ± 0.010 mg/mL, indicating moderate activity. Consequently, further studies using primary human cells or in vivo models are warranted to comprehensively evaluate its safety and toxicological profile. Notably, the oil exhibited enzyme inhibition against α-amylase (IC50 = 0.010 ± 0.010 mg/mL), indicating preliminary glucose-modulating potential, and moderately inhibited lipoxygenase (IC50 = 0.101 ± 0.020 mg/mL). Antibacterial testing revealed a significant bactericidal effect against Staphylococcus aureus. In silico analysis provided supportive computational insights: alloaromadendrene showed favorable predicted binding to human erythrocyte catalase (–7.9 kcal/mol) and S. aureus dehydrosqualene synthase (–8.9 kcal/mol), while longifolene exhibited promising docking scores for α-amylase (–7.0 kcal/mol) and lipoxygenase (–6.3 kcal/mol). Additionally, ADME profiling suggested potentially favorable pharmacokinetic properties for the principal metabolites.ConclusionOverall, A. lanatum essential oil represents a potential source of bioactive metabolites. While it shows potent chemical-scavenging capacity, its enzyme-inhibitory and antibacterial effects suggest potential bioactive properties that require further investigation in advanced biological models.

The objective of this study is to investigate the probiotic potential of marine lactic acid bacteria (LAB) by isolating them from a range of fish samples, identifying the different strains, and analysing their probiotic characteristics. Using 16S rDNA sequencing, three LAB strains were identified and evaluated for their probiotic potential, including their enzymatic activities (such as hemolytic and DNase activities, and API ZYM profile) and their resilience to gastrointestinal conditions. The study also examined their antimicrobial properties, adhesion abilities (including biofilm formation capacity), auto-aggregation, co-aggregation with pathogenic bacteria, and surface hydrophobicity. Their antibiotic susceptibility was also evaluated. The LAB strains; Saf1 (Lacticaseibacillus paracasei), Saf2 (Pediococcus pentosaceus), and Saf3 (Pediococcus acidilactici) demonstrated significant probiotic potential, tolerating harsh gastric and intestinal conditions (low pH, pepsin, and trypsin resistance) without exhibiting detectable DNase or hemolytic activity. Furthermore, all strains displayed strong auto and co aggregation capacities, and high hydrophobicity. The tested isolates effectively inhibited various fish pathogens isolated from seabass and seabream, including Vibrio alginolyticus, Vibrio vulnificus, Vibrio parahaemolyticus, Aeromonas salmonicida and Aeromonas hydrophila. In addition, all isolates were sensitive to veterinary antibiotics and produced phosphatase enzymes, which support growth, boost immunity, and ensure proper mineral absorption, making probiotics an attractive alternative to traditional antibiotics in aquaculture systems. Overall, the findings of this current investigation indicate that Lacticaseibacillus paracasei (Saf1) is the most promising probiotic strain, which could be exploited for functional use in aquaculture.

Ephedra alata aerial parts are often used in Tunisian traditional medicine, especially patients with cancer. The current paper highlights, for the first time, the pro-apoptotic properties of its aqueous and ethanolic extracts on leukemic, colon and pancreatic cancers. Furthermore, their anti-inflammatory and antioxidant activities were evaluated. Both extracts phenolic profile’s was assessed by HPLC analysis. A total of eight and seven compounds respectively in ethanolic and aqueous extracts, were identified as tyrosol (31.86–50.17

In a sustained search for novel potential drug candidates with multispectrum therapeutic application, a series of novel spirooxindoles was designed and synthesized via regioselective three-component reaction between isatin derivatives, 2-phenylglycine and diverse arylidene-imidazolidine-2,4-diones (Hydantoins). The suggested stereochemistry was ascertained by an X-ray diffraction study and NMR spectroscopy. The resulting tetracyclic heterocycles were screened for their in vitro and in vivo anti-inflammatory and analgesic activity and for their in vitro antimicrobial potency. In vitro antibacterial screening revealed that several derivatives exhibited remarkable growth inhibition against different targeted microorganisms. All tested compounds showed excellent activity against the Micrococccus luteus strain (93.75 µg/mL ≤ MIC ≤ 375 µg/mL) as compared to the reference drug tetracycline (MIC = 500 µg/mL). Compound 4e bearing a p-chlorophenyl group on the pyrrolidine ring exhibited the greatest antifungal potential toward Candida albicans and Candida krusei (MIC values of 23.43 µg/mL and 46.87 µg/mL, respectively) as compared to Amphotericin B (MIC = 31.25 and 62.50 µg/mL, respectively). The target compounds were also tested in vitro against the lipoxygenase-5 (LOX-5) enzyme. Compounds 4i and 4l showed significant inhibitory activity with IC50 = 1.09 mg/mL and IC50 = 1.01 mg/mL, respectively, more potent than the parent drug, diclofenac sodium (IC50 = 1.19 mg/mL). In addition, in vivo evaluation of anti-inflammatory and analgesic activity of these spirooxindoles were assessed through carrageenan-induced paw edema and acetic acid-induced writhing assays, respectively, revealing promising results. In silico molecular docking and predictive ADMET studies for the more active spirocompounds were also carried out.

Globularia alypum L. (GA) is a Mediterranean plant of the Globulariaceae family which is widely used in traditional Tunisian medicine. The main goal of this study was to evaluate the phytochemical composition, antioxidant, antibacterial, and antibiofilm activities, and the antiproliferative potential of different extracts of this plant. The identification and the quantification of the different constituents of extracts were determined using gas chromatography–mass spectrometry (GC-MS). The antioxidant activities were evaluated using spectrophotometric methods and chemical tests. The antiproliferative study was based on the use of colorectal cancer SW620 cells, including an antibacterial assessment with the microdilution method and analysis of the antibiofilm effects via the crystal violet assay. All extracts presented several components, mainly sesquiterpenes, hydrocarbon, and oxygenated monoterpenes. The results revealed that the maceration extract had the most important antioxidant effect (IC50 = 0.04 and 0.15 mg/mL), followed by the sonication extract (IC50 = 0.18 and 0.28 mg/mL). However, the sonication extract demonstrated significant antiproliferative (IC50 = 20 µg/mL), antibacterial (MIC = 6.25 mg/mLand MBC > 25 mg/mL), and antibiofilm (35.78% at 25 mg/mL) properties against S. aureus. The results achieved confirm the important role of this plant as a source of therapeutic activities.

As part of the valorization of agricultural waste into bioactive compounds, a series of structurally novel oleanolic acid ((3β-hydroxyolean-12-en-28-oic acid, OA-1)-phtalimidines (isoindolinones) conjugates 18a–u bearing 1,2,3-triazole moieties were designed and synthesized by treating an azide 4 previously prepared from OA-1 isolated from olive pomace (Olea europaea L.) with a wide range of propargylated phtalimidines using the Cu(I)-catalyzed click chemistry approach. OA-1 and its newly prepared analogues, 18a–u, were screened in vitro for their antibacterial activity against two Gram-positive bacteria, Staphylococcus aureus and Listeria monocytogenes, and two Gram-negative bacteria, Salmonella thyphimurium and Pseudomonas aeruginosa. Attractive results were obtained, notably against L. monocytogenes. Compounds 18d, 18g, and 18h exhibited the highest antibacterial activity when compared with OA-1 and other compounds in the series against tested pathogenic bacterial strains. A molecular docking study was performed to explore the binding mode of the most active derivatives into the active site of the ABC substrate-binding protein Lmo0181 from L. monocytogenes. Results showed the importance of both hydrogen bonding and hydrophobic interactions with the target protein and are in favor of the experimental data.

This study aimed to investigate the in vitro properties of lactic acid bacteria isolated from colostrum samples of goat, sheep and cow. Four isolates of lactic acid bacteria identified through 16S rDNA sequencing were screened for probiotic potential including their enzymatic activities (hemolytic, DNase activity, API ZYM profiling and tolerance to the gastrointestinal conditions), their antimicrobial activities, their adhesion properties through biofilm formation capacity, auto-aggregation and co-aggregation with pathogens bacteria and hydrophobicity. They were also tested for their antibiotic susceptibility and antioxidant power. All the strains (ADG1b Lactobacillus gasseri, ZPana Lactiplantibacillus plantarum, S2ana Enterococcus hirae and ZGana Lactobacillus gasseri) demonstrated probiotic properties and they could resist different gastrointestinal conditions. They displayed good antimicrobial activities. Furthermore, they had high antioxidant power, although strain dependent. The results of this study showed that L. gasseri (ADG1b) is the most promising probiotic.

In the current work, we investigated the chemical composition, the antibacterial and antibiofilm properties of the essential oil (EO) from the aerial parts of Ephedra alata extracted by hydrodistillation. The main compounds identified by GC/MS were monoterpene hydrocarbons. Among these compounds, linalool (27.44%), a-terpinyl acetate (20.80%) and beta-pinene (9.87%) were the major constituents. The antibacterial activity was evaluated by determining the minimum inhibitory and bactericidal concentrations. The results showed a strong activity against both Gram negative and positive bacteria, particularly Pseudomonas aeruginosa and Micrococcus luteus (minimum inhibitory concentration MIC and minimum bactericidal concentration MBC = 1.25 mu g/mL). The antibiofilm activity was quantified using the crystal violet assay, and the results showed a high antibiofilm capacity against all tested strains and especially Pseudomonas aeruginosa, with a percentage of reduction up to 90%. The results are of interest for the potential use of E. alata essential oil to control pathogenic bacteria in their planktonic and/or their biofilm forms in medicine or the food industry.

Although bioactivities of Ephedra alata have been widely described, most of them are related to its anticancer or antioxidant potencies while data related to its antifungal and allelopathic properties are still very scarce. Thus, the aim of this study is to determine the antifungal activity of the aqueous and methanolic extracts from Ephedra alata aerial parts and to assess their allelopathic potential. The antifungal potential was investigated qualitatively and quantitatively using disc diffusion and microdilution methods, while germination seed test was used to assess allelopathic activity. Antifungal results showed that all fungus strains were inhibited by aqueous and methanolic extracts in a dose-dependent manner. The aqueous extract showed the highest inhibition power on conidial germination of A. fumigatus. The methanolic extract exhibited strong antifungal activity against A. niger and A. flavus. Regarding the allelopathic effect, dose-dependent phytotoxicity activity against Triticum aestivum, Linum usitatissimum, and Trigonella foenum-graecum was observed with both of our extracts. Precisely, data demonstrated that the methanolic extract is more phytotoxic than the aqueous one. The obtained results are of interest for the potential use of E. alata extracts as a natural antifungal and as a biological herbicide.

Three-component cascade reactions of (E)-3-arylidene-1-methyl-pyrrolidine-2,5-diones, L-valine and various isatin derivatives are described. A series of 17 spiropyrrolidine derivatives with wide structural complexity and diversity have been thus obtained in moderate to excellent yields under mild reaction conditions. The structure and stereochemistry of these N-heterocyclic cycloadducts has been established by spectroscopic techniques and unambiguously confirmed by a single-crystal X-ray diffraction analysis performed on one derivative. UV-visible spectra have been recorded for all new compounds. Furthermore, the synthesized N-heterocyclic compounds have been screened for their in vitro antibacterial and antifungal activities. Several derivatives exhibited moderate to good activities, comparable to those of the known standard drugs Amphotericin B and Tetracycline. Structural activity relationships (SARs) and molecular docking of the most promising derivatives into the binding sites of glucosamine 6-phosphate synthase (GlcN6P) and methionyl-trna-synthetase (1PFV) were also established. Furthermore, pharmacokinetic studies indicate that the heterocycles exhibit acceptable predictive ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties and good drug ability.

In an attempt to rationalize the search for new potential anti-inflammatory and anti-infection agents, a new series of 1,4-and 1,5-disubstituted 1,2,3-triazoles linked benzoxazine conjugates have been synthesized via “Click Chemistry” reaction, were designed, synthesized and characterized by means of spectral and elemental data. The newly synthesized compounds have been assessed for their antimicrobial, antioxidant and anti-inflammatory potential. Results revealed that all synthesized compounds display superior activities to the standard drug against different bacterial strains especially S. aureus, M. luteus, and P. aeruginosa, with good to moderate activity towards the tested E. coli bacteria, in respect to the commercial antibiotic, tetracycline. Moreover, the antifungal activity was screened against C. albicans and C. krusei yeasts and results demonstrate potent activity as compared to the standard drug, ampicillin. The antioxidant activity was evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) radical scavenging assays, whose results indicate that analogues 4a (IC50 1.88 ± 0.07 µM and 2.17 ± 0.02) followed by 4b (IC50 2.19 ± 0.09 µM and 2.38 ± 0.43 µM), 4d (IC50 2.30 ± 0.01 µM and 4.07 ± 0.57 µM), and 4f (2.98 ± 0.02 µM and 3.80 ± 0.01 µM), respectively, exhibited the strongest activity when compared to the standard reference, butylated hydroxytoluene (BHT) (3.52 ± 0.08 µM and 4.64 ± 0.11 µM). In addition, their anti-inflammatory activity was assessed using the xylene-induced ear edema standard technique and the results demonstrated the potency of 4a, 4b and 4d as excellent anti-inflammatory agents. Preliminary structure–activity relationship studies (SARs) provide those biological activities can be modulated by the presence of unsubstituted aromatic ring as well as the position of substituents on the phenyl moiety via electron withdrawing groups (EWGs) or electron donating groups (EDGs) effects. Docking studies on the most promising compounds 4a, 4b, and 4d into the active sites of S. aureus tyrosyl-tRNA synthetase, Candida albicans N-Myristoyltransferase, Human COX-2 enzyme, and Human Peroxiredoxin 5 revealed good binding profiles with the target proteins. The interaction's stability was further assessed using a conventional atomistic 100 ns dynamic simulation study. Hence, our results recommended the rationalized targets 4a, 4b and 4d, to be promising lead candidates for the discovery of novel dual anti-inflammatory and anti-infection agents.

To combat emerging antimicrobial-resistant microbes, there is an urgent need to develop new antimicrobials with better therapeutic profiles. For this, a series of 13 new spiropyrrolidine derivatives were designed, synthesized, characterized and evaluated for their in vitro antimicrobial, antioxidant and antidiabetic potential. Antimicrobial results revealed that the designed compounds displayed good activity against clinical isolated strains, with 5d being the most potent (MIC 3.95 mM against Staphylococcus aureus ATCC 25923) compared to tetracycline (MIC 576.01 mM). The antioxidant activity was assessed by trapping DPPH, ABTS and FRAP assays. The results suggest remarkable antioxidant potential of all synthesized compounds, particularly 5c, exhibiting the strongest activity with IC50 of 3.26 ± 0.32 mM (DPPH), 7.03 ± 0.07 mM (ABTS) and 3.69 ± 0.72 mM (FRAP). Tested for their α-amylase inhibitory effect, the examined analogues display a variable degree of α-amylase activity with IC50 ranging between 0.55 ± 0.38 mM and 2.19 ± 0.23 mM compared to acarbose (IC50 1.19 ± 0.02 mM), with the most active compounds being 5d, followed by 5c and 5j, affording IC50 of 0.55 ± 0.38 mM, 0.92 ± 0.10 mM, and 0.95 ± 0.14 mM, respectively. Preliminary structure–activity relationships revealed the importance of such substituents in enhancing the activity. Furthermore, the ADME screening test was applied to optimize the physicochemical properties and determine their drug-like characteristics. Binding interactions and stability between ligands and active residues of the investigated enzymes were confirmed through molecular docking and dynamic simulation study. These findings provided guidance for further developing leading new spiropyrrolidine scaffolds with improved dual antimicrobial and antidiabetic activities.

In the current study the potential use of aqueous and methanolic extracts of Ephedra alata aerial parts as biological control agent against pathogenic bacteria and especially Staphylococcus aureus methicillin resistant isolated from auricular infections was evaluated. Chemical tests and spectrophotometric methods were used for screening and quantification of phytochemicals. The assessment of the antioxidant activity was accomplished by DPPH and ABTS radicals scavenging assays. Extracts were evaluated for their antibacterial efficacy by diffusion and microdilution methods. Biofilm inhibition was tested using XTT assay and the cytotoxicity of extracts was carried out on Vero cell line. The GC-FID analysis revealed that E. alata was rich in unsatured fatty acids. In addition, the aqueous extract had the highest flavonoid and protein contents (30.82 mg QE /g dry extract and 98.92 mg BSAE/g dry extract respectively). However, the methanolic extract had the highest phenolic, sugars and tannins. The antioxidant activity demonstrated that the aqueous extract exhibited the strong potency (IC50 ranged between 0.001 and 0.002 mg/mL). Both extracts displayed antimicrobial activity on Gram negative and positive strains. They were effective against S. aureus isolated from auricular infections. The tested extracts were able to inhibit biofilm formation with concentration-dependent manner. Moreover, no cytotoxic effect on Vero cells line was demonstrated for the extracts. Overall, our findings highlight the potential use of E. alata extract as a novel source of bioactive molecules with antioxidant, antibacterial and antiobiofilm effects for the control of infectious disease especially those associated to S. aureus methicillin resistant.

The release of aqueous residues generated by the extraction process of essential oils presents a real risk of environmental pollution. This work aims to reduce this risk and produce value-added materials. The aqueous residue of Dittrichia graveolens (D. graveolens) hydrodistillation has been reused in two valorization ways: 1/in the ecological dyeing. 2/in biological field. First, a phytochemical study of the aqueous residue was carried out by determining the content of polyphenols (237 mg EqAG g−1) and flavonoids (91 mg EqC g−1). Second, HPLC analysis allowed the identification and evaluation of catechin (5.92 mg g−1 of extract) and quercetin (4 mg g−1 of extract) as two of the coloring molecules present in this aqueous residue. Third, the eco-dyeing process with the aqueous residue was performed on the polyamide fabric, the process was optimized by the surface response methodology using Minitab software. Thus, the optimum dyeing conditions were evaluated at pH, temperature and duration of 3, 80 °C and 90 min, respectively, giving a maximum value of K/S color yield (equal to 7.5). Fourth, the dyeing process was evaluated by measuring fastness tests for the optimal conditions. Finally, the aqueous residue was assessed for its antioxidant, antibacterial, anti-inflammatory and cytotoxic potential from where it is proven that it could be a source of the bioactive compounds.

The aim of this study is to evaluate the quality index, functional groups changes, and antimicrobial activity of ozonized pomegranate seeds oil (OPSO). Results have shown that peroxide and acidity values were increased with ozonation times. The FT-IR and (1) H NMR analyses of oil samples have confirmed chain scission at C = C bonds of the fatty acid chains during ozonation and the formation of new carbonyl compounds such as aldehyde, 1,2,4-trioxolane. The ozonation reaction improves the antibacterial activity of non-ozonized PSO. These results make an open door to new applications of OPSO.

The objective of this work was to determine the chemical composition, the antioxidant and antibacterial activities of the essential oils (EOs) extracted by hydrodistillation from different organs of the D. viscosa: flowers, leaves and aerial parts. The main compounds identified by GC/MS are oxygenated sesquiterpenes. Among these compounds, (E)-nerolidol (40.7%) is the most abundant constituent of flowers' essential oil while caryophyllene oxide (9.9%), isolongifolan-7-alpha-ol (10.3%) and alpha -eudesmol (9.1%) are the major constituents of the leaves' essential oil. The presence of these compounds in the aerial parts' essential oil is solely due to those of the flowers and leaves that constitute these aerial parts. The volatile extracts showed antioxidant effects with IC50 values ranging between 9.25 and 9.75 mg.mL(-1). On the other hand, EOs showed antibacterial effects on both Gram-positive and Gram-negative bacteria. The highest activity was obtained with flowers' essential oil against Enterococcus faecalis and Escherichia coli.