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Solubility enhancement of poorly aqueous-soluble drugs, like Terbinafine (TBN), is a critical challenge in formulating effective dosage forms. This study focused on developing β-cyclodextrin (β-CD) and polyacrylamide (PAM)-based microgels to address the solubility issue of TBN, classified as a biopharmaceutics classification system class II drug. The microgels were crafted through free radical polymerization, employing methylene bisacylamide as a cross-linker and methacrylic acid as a monomer, initiated by ammonium persulfate. Comprehensive characterizations, including Fourier transform infrared, thermo-gravimetric analysis, differential scanning calorimetry, scanning electron microscopy, powder X-ray diffractometry analysis, Zeta size, and Zeta potential, were conducted. In vitro studies, such as drug release and swelling, were performed at pH 1.2. Toxicity analysis in rabbits revealed zero toxicity. These β-CD/PAM microgels successfully enhanced the solubility of TBN.

The purpose of the current study is to assess the chemical profile, antioxidant, antimicrobial, and insecticide efficacy of essential oil derived from the leaf of Moroccan Mentha aquatica L. (MA-EO) using in vitro and in silico analysis. Using GC-MS/MS analysis, 18 components of MA-EO were identified, including linalool (42.42%), α-elemol (10.45%), α-terpineol (8.07%), linalyl acetate (7.37%), and caryophyllene (4.05%). Additionally, MA-EO has a strong antioxidant capacity with IC50 values of 0.64 ± 0.01 µg/mL using the DPPH assay and 0.167 ± 0.13 µg/mL using the ABTS test. Total antioxidant capacity activities were found to be 188.21 ± 0.31 mg EAA/g, while RP activities were 1.95 ± 0.023. The powerful antibacterial properties of MA-EO were proven to be effective against Escherichia coli and Candida albicans. MA-EO showed insecticidal potential using the fumigation experiment, with an LC50 of 3.33 μL/L in the air after 24 h of exposure. At a dose of 20 µL/mL, MA-EO reduced fertility, fecundity, and emergence of adult C. maculatus. MA-EO had 95% mortality at the same dosage. In silico analysis revealed that the antioxidant activity of MA-EO is linked to γ-eudesmol, while its antibacterial efficacy is associated with phenol, 2,4-di-tert-butyl-, and its antifungal capacity with phenol, 2,4-di-tert-butyl-. MA-EO demonstrates potent bactericidal, fungicidal, and bioinsecticide properties, making it effective for controlling bacteria, fungi, and insect pests in stored grains.

Breast cancer is the biggest cause of death among women worldwide. Natural chemicals from medicinal plants offer promise for cancer therapy. This research screens 29 Dryopteris species plant-derived chemicals, mostly phloroglucinols, for breast cancer therapy potential. First, we used Gaussian09 and DFT/B3LYP/6-311+G(d, p) calculations to evaluate compound stability and reactivity. We conducted molecular docking experiments to identify drugs with high binding affinity for the PI3Kα protein’s active pocket. DJ1–DJ22 were found to be the most effective PI3Kα inhibitors, with energies ranging from −8.0 to −9.2 kJ/mol. From in silico pharmacokinetic and bioactivity screening, DJ3, DJ7, and DJ18 were identified as promising PI3Kα inhibitors. PI3Kα backbone stability was tested in a water model using molecular dynamics simulations employing DJ3, DJ7, DJ18, and Trastuzumab as a pharmacological reference. Synthesis of target-hit DJ3, DJ7, and DJ18 derivatives may lead to breast cancer drug-like molecules for related cancers. The work uses in silico methods to find natural phloroglucinols for breast cancer therapy, enabling new chemotherapeutic drugs.

Acute myeloid leukemia (AML) takes center stage as a highly prevalent and aggressive clonal disorder affecting hematological stem cells. FMS-like tyrosine kinase 3 (FLT3) mutations were prevalent in nearly 30% of the AML cases. However, efforts have led to the development of anti-mutant FLT3 drugs, such as midostaurin, gilteritinib, and quizartinib, to improve treatments. Currently, we are exploring the ability of compounds from anti-leukemic plants to be used in AML therapies, focusing on mutant FLT3 inhibition. Employing computational techniques such as drug-likeness assessment, molecular docking, pharmacokinetics properties profiling, molecular dynamics simulations (MDS), and free energy calculations, we identified 43 out of 57 compounds with oral drug potential. Notably, 7 out of 43 compounds, including flavopiridol, sanggenol Q, norwogonin, oblongixanthones A, oblongixanthones B, apigenin, and luteolin exhibited strong binding affinities ranging from −9.0 to −9.8 kcal/mol, surpassing the control drug gilteritinib (−6.3 kcal/mol). Notably, flavopiridol and norwogonin displayed highly favorable pharmacokinetics and low toxicity profiles. MDS confirmed the stability of their binding through parameters such as root mean square deviation, root mean square fluctuation, and radius of gyration (R g) over 100 ns simulations. Flavopiridol and norwogonin emerge as promising candidates for the development of mutant FLT3 inhibitors. Therefore, experimental studies are warranted to validate their therapeutic potential.

The treatment of the various infections caused by Staphylococcus aureus has become challenging due to the evolving resistance against current therapeutics. In this study, the potentials of napthyridine and oxadiazole derivatives to serve as dual inhibitors of penicillin-binding protein 2a (PBP-2a) and FemA protein, which are crucial to resistance to methicillin-based drugs by S. aureus, were evaluated using molecular modeling techniques. Seventy-two compounds were subjected to molecular docking against the proteins, and the hit compounds were subjected to drug-likeness evaluation and in silico pharmacokinetics prediction. The compounds with good safety profiles were subjected to a 250-ns molecular dynamics (MD) simulation and other relevant analyses based on the MD trajectories. Five hit compounds were selected based on their high affinity for the targets as evidenced by their docking scores ranging from −8.6 to −10.1 kcal/mol for PBP-2a and −9.6 to −9.9 kcal/mol for FemA. These compounds also passed Lipinski’s rule of five evaluation with no violation and possessed high human intestinal absorption potential, showcasing their potential as orally administered therapeutic agents. However, three of the compounds were potential mutagens. MD simulation revealed that the final two compounds maintained stable interactions with the target proteins over 250 ns, with minimal deviations and fluctuations. Hydrogen bond stability and energy decomposition analysis further confirmed the strong binding affinity of the hit compounds compared to the control drug, methicillin. Conclusively, the compounds with the CID “135964525” and “44130718” are worthy of further experimental validation in the development of potential inhibitors of PBP-2a and FemA.

This study evaluated the volatile components of Cannabis sativa L. essential oils (CSEOs) and their pharmacological potential in vitro, in animal, and in silico. The anti-oxidant capacities of volatile compounds were tested using 2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), total anti-oxidant capacity (TAC), and gas chromatography-mass spectrometry (GC-MS). Anti-microbial activity against bacterial and fungal strains was assessed using disk diffusion and micro-dilution, and acute toxicity was examined on mice using OECD 423 criteria. The results indicate that the main components were β-caryophyllene (31.54%), α-humulene (12.62%), β-myrcene (4.83%), and α-pinene (4.69%). The essential oil showed high anti-oxidant ability (IC50 = 0.981 ± 0.059 mg/ml for DPPH, EC50 = 1.74 ± 0.05 for FRAP), and TAC of 0.101 ± 0.001 mg AAE/g. Additionally, it showed significant antibacterial action against Gram-negative organisms, such as Escherichia coli (11.33 ± 0.00 mm), Klebsiella pneumonia (9 ± 0.00 mm), and Pseudomonas aeruginosa (9.34 ± 0.00), with MICs ranging from 0.0052 to 0.0208 mg/CSEO demonstrated antifungal activity against Candida albicans and Fusarium proliferatum, with activity levels of 18.66 ± 0.88 mm, 41.89 ± 3.60%, and MICs of 0.39 and 0.013 mg/ml, respectively. In toxicological studies, CSEO proved to be safe for animals. Docking identified bioactive components and explored anti-oxidant and antibacterial properties. Docking proved that bulnesol and champacol caused indicated actions.

To help discover a reasonable and eco-friendly insecticide, we undertook a study on the insecticidal potential of carvacrol and essential oils extracted by hydrodistillation using a Clevenger apparatus from the plant species Nigella sativa seeds essential oils of Nigella sativa (EONS) on Callosobruchus maculatus adults. Several tests including contact toxicity, repellent effect, topical contact test, and inhalation effect were conducted. Adults of C. maculatus have been exposed to the toxic effects of different concentrations of these essential oils as well as with carvacrol. The results obtained showed that both EONS and carvacrol exhibited a moderate repellent effect (class II) on C. maculatus adults. EONS showed the highest toxicity by inhalation test, with an LD50 of 13.386 and an LD95 of 33.186 μL/cm2, compared to carvacrol (LD50 = 21.509 and LD95 = 38.877 μL/cm2). The EONS by contact test exhibited more toxic effects, with an LD50 of 23.350 µL/100 g and an LD95 of 45.315 µL/100 g, compared to carvacrol (LD50 = 27.853 µL/100 g and LD95 = 45.184 µL/100 g). For the topical contact test results, carvacrol was more toxic, with an LD50 of 3.915 and an LD95 of 7.696 µL/mL, compared to EONS (LD50 = 14.509 and LD95 = 25.516 µL/mL). The high toxicity of EONS can be explained by the presence of 25.8% of o-cymene, 8.53% of cyclofenchene, and 7.71% of beta-pinene, as well as 4.6% of carvacrol, in its chemical composition. Unmitigatedly, these data suggest that the essential oils of N. sativa may present a raw material for the development of new bio-insecticidal products against C. maculatus, one of the main pests of stored foodstuffs.

Cytisus villosus Pourr. (C. villosus) is a medicinal plant belonging to the Fabaceae family, which grows in the Mediterranean area. It is used in traditional medicine against diseases related to inflammation. The objective of the present study was to identify the mineral and polyphenolic composition as well as to evaluate some biological properties including antioxidant, anti-inflammatory, and analgesic activities of C. villosus leaf aqueous extract. The chemical constituents were identified and quantified using ultra performance liquid chromatography-electrospray ionization tandem mass spectrometry (UPLC-ESI-MS/MS) methods. The antioxidant properties of C. villosus leaves were tested using reducing power (RP), 2,2-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS), and 2,2′-diphenyl-1-picrylhydrazyl (DPPH) assays. The anti-inflammatory potency was evaluated in vitro and in vivo using the albumin denaturation test and the carrageenan test, respectively. Furthermore, the analgesic effect was performed in vivo using tail flick, acetic acid-induced contortion, and plantar tests. Mineralogical analysis revealed that potassium and calcium were the most abundant minerals. The analysis and quantification of the phytochemical composition using UPLC-ESI-MS/MS showed that quinic acid (57.478 ± 1.72 mg/kg) was the major compound of the aqueous extract, followed by salicylic acid (17.38 ± 0.2 mg/kg), isoquercetin (16.895 ± 1.01 mg/kg), and gallic acid (15.914 ± 1.51 mg/kg). The extracts showed potent antioxidant activity for all tests used. The highest antioxidant activity was recorded for the DPPH, ABTS and RP methods, with an IC50 of 3.94 ± 0.09, 2.88 ± 0.07, and 1.94 ± 0.10 μg/mL, respectively. Additionally, using the most frequent analgesic assays, the aqueous extract at a dose of 500 mg/kg exhibited a potent analgesic activity. Notably, an interesting inhibition of albumin denaturation was recorded with an IC50 of 383.94 μg/mL, corroborating the in vivo test. Overall, the results presented here may represent a scientific basis for the traditional use of C. villosus in the treatment of inflammation-related diseases.

Juniperus phoenicea (L.) is a medicinal plant that has been used in phytotherapy as a treatment of certain pathological infections. In this context, the present work aimed to valorize the essential oil of J. phoenicea seeds (EOGP) by studying its chemical composition, and antioxidant and antimicrobial activities. The EOGP was extracted by use of hydrodistillation and characterized by gas chromatography (GC–MS). The antioxidant power was evaluated by three methods (TAC, DPPH, and FRAP). The antimicrobial power was evaluated against Staphylococcus aureus (ATCC6633), Escherichia coli (K12), Bacillus subtilis (DSM6333), Proteus mirabilis (ATCC29906), Candida albicans (ATCC10231), Aspergillus niger (MTCC282), Aspergillus flavus (MTCC9606), and Fusarium oxysporum (MTCC9913). The GC/MS results revealed a total identification of 99.98% with a dominance of carvacrol (39.81%) followed by p-cymen-3-ol (34.44%) and o-cymene (13.60%). Findings showed that EOGP exhibited important antioxidant power as IC50 was determined to be 26 µg/mL for 2,2-diphenyl-1-picrylhydrazyl, while EC50 was 216.34 µg/mL for ferric reducing antioxidant power and total antioxidant capacity was 720 mg AAE/g. The antimicrobial power on solid medium revealed that the inhibition diameters ranged from 11.30 ± 0.58 to 20 mm for the bacterial strains and from 9.33 ± 0.57 to 54.43 ± 0.29 mm for fungi. Notably, minimum inhibitory concentrations ranged from 18 to 19 µg/mL for bacterial strains and from 5.04 to 10.09 µg/mL for fungal strains. Overall, our results demonstrated the importance of EOGP as a source of natural antioxidant and antibacterial medicines against clinically relevant pathogenic strains.

The objective of this work was to characterize the phytochemical composition of essential oil from Juniperus thurifera (L.) fruits (EOFT) and study its antioxidant, antibacterial, and antifungal effects. EOFT was extracted by hydrodistillation and fingerprinted by using GC–MS. The antioxidant effect of EOFT was evaluated using 2,2-diphenylpicrylhydrazyl (DPPH), ferric iron reduction assay (FRAP), and total antioxidant capacity (TAC) assays. Importantly, the antimicrobial activity of EOFT was performed against Candida albicans, Aspergillus niger, Aspergillus flavus, Fusarium oxysporum, Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Proteus mirabilis. In addition, the inhibitory capacity of NADPH oxidase and human acetylcholinesterase was also investigated using molecular docking. The results of the chemical composition reveal that EOFT constituted 11 terpenic compounds with dominance of elemol (33.86%), terpinen-4-ol (27.80%), and cryptomeridiol (18.36%). The antioxidant power of EOFT recorded IC50 values of 197.07 ± 0.09 μg/mL (DPPH) and 216.34 ± 0.06 μg/mL (FRAP), while TAC of EOFT was determined to be 181.06 μg AAE/mg. The antibacterial potency on solid medium revealed that EOFT induced inhibition zone diameters reaching 14 mm, and a minimum concentration up to 2.78 µg/mL against the studied bacterial strains. The EOFT also showed an important antifungal effect as the inhibition reached 42%, and the MIC was between 7.50 and 22.25 µg/mL. The in silico study showed that o-Cymene was the most active molecule against NAD(P)H oxidase followed by cadinol with a Glide score of −5.344 and −5.143 kcal/mol, respectively. Due to their promising results, the outcome of this work suggests that EOFT could be used as an interesting natural weapon to control microbial and freed radical-related diseases.

Multiple stresses in waste dumpsite soils can drive antibiotic production as one of the strategies for survival. Bacteria are the most prolific producers of antibiotics. This study investigated the antibiotic production potential of bacteria isolated from Bahir Dar city municipal solid waste dumpsite (MSWDS). Bacteria were isolated from soil collected from the dumpsite on starch casein or nutrient agar. The isolates were carefully screened for antimicrobial activity against six pathogenic bacterial test strains. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were also determined from cell-free metabolites of the most promising isolates. Isolates showing antimicrobial activity were identified using cultural and biochemical methods. A total of 143 distinctive colonies were obtained and tentatively identified to 13 bacterial genera. Twenty-six (18.18%) of the isolates (six Bacillus and 20 actinobacteria related) demonstrated antimicrobial activities at least against one of the tested bacterial strains. These isolates were related to two actinobacterial and 11 other bacterial genera. Seven out of 26 isolates showed a broad-spectrum of antibiotic activities. Two isolates, which showed a wide spectrum, were selected for the MIC and MBC tests against Escherichia coli and Staphylococcus aureus. The MIC and MBC of the isolates were recorded to be 250–500 µg/mL against the test strains. Bahir Dar city MSWDS contained a high incidence of antibiotic-producing bacteria. Strain level identification of the isolates and detailed characterization of the metabolites will give a good insight into the antimicrobial production potential in the waste dumpsite.

The objective of the current research was to identify and evaluate the possibility of production of pectinase, also known as pectin degrading enzymes, from indigenous bacterial strains. Qualitative screening of isolated bacterial strains showed that among 29 bacterial strains, 5 have maximum enzymatic activity. The highest pectinase producing strains were quantitatively analyzed for enzyme production. SH7 strain was found as highest pectinase producer (0.77 IU/mL) that was further analyzed to molecular level by amplification of 16s rRNA. It was found 100% similar with other reported strains of Bacillus thuringiensis. Medium optimization was performed to optimize fermentation conditions for maximum enzyme yield. An experimental design containing 12 experimental runs was designed by Plackett–Burman design (PBD). Maximum pectinase activity was obtained at 45°C after 24 h when the growth medium was supplemented with 2.5% nitrogen, 5.0% substrate, MgSO4 as metal ion, 1% inoculum size, and pH was adjusted to 6. Factorial regression analysis of the PBD design was performed and the overall design was also found significant in terms of R square value. In PBD, the most significant factors for production were temperature, pH, metal ion concentration, and nitrogen source. Central composite design (CCD) design consisting of 26 experimental runs was employed to optimize these four significant factors. The overall model summary showed maximum pectinase activity (19.2 IU/mL) at 37°C temperature, 0.08 NaCl, 1.7% nitrogen source, and pH 8.4. In CCD, NaCl, nitrogen source, and pH were also reported as significant factors by the Pareto chart, probability plots, and 3D interactions.

Berberis hispanica Boiss. & Reut (B. hispanica) belongs to the family Berberidaceae, which is currently used in traditional medicines. This article aimed to study the phytochemical composition and acute and subacute toxicity of B. hispanica extract in rats. The phytochemical composition of B. hispanica extract was characterized using GC-MS. The acute toxicity was investigated in vivo via the oral administration of single doses including 400, 800, 1,000, 1,200, and 1,400 mg/kg for 14 days. The subchronic toxicity was studied through oral administration of 400 mg/kg for 60 days. The findings of the phytochemical analysis of B. hispanica extract showed the presence of various phytochemical compounds. Acute toxicity results revealed serious clinical symptoms and mortalities in rats treated with 800 mg/kg up to a maximum of 1,400 mg/kg. With acute toxicity, subchronic toxicity results showed also serious signs of toxicity including biochemical and histological alterations in animals treated with 1,400 mg/kg. B. hispanica extract revealed to be toxic in rats orally treated under both subacute (>400 mg/kg) and subchronic toxicity conditions (400 mg/kg). The outcome of this study serves the society as it provides toxicological evidence of B. hispanica used in alternative medicines

Autoimmune diseases are pathological conditions in which the immune system mistakenly attacks its own tissues. This study evaluates the performance of two techniques, which are identifiers of autoantibody specifics: immunoblot and immunodot. This study was conducted in 300 patients of whom 62 were tested positive for antinuclear antibodies. The patients were initially screened for antinuclear antibodies using indirect immunofluorescence. Then, the identification of specific autoantibodies such as anti-extractable nuclear antigens (ENAs) was carried out using the immunoblot and immunodot techniques. The results showed that immunoblot and immunodot did not present a significant difference in their sensitivity against anti-SSA/52, SSB, CENP-B, PCNA, U1-snRNP, Jo-1, Pm-scl, and Mi-2 (p > 0.05). However, the two techniques showed a significant difference in their sensitivity toward autoantibodies anti-DNAn, anti-histone, anti-SmD1, and anti-ds-DNA (p < 0.05). The immunoblot data were in complete accordance with the immunodot data (100%) regarding the detection of autoantibodies such as anti SSA/52, SSB, CENP-B, PCNA, U1-snRP, Jo-1, Pm-scl, and Mi-2, 80% regarding SmD1, and 75% concerning ds-DNA. We should certainly pay closer attention to the efficiency of the techniques used in the diagnosis of autoimmune diseases.

Citrullus colocynthis (L.) Schrad (C. colocynthis) called colocynth is a wild species that belongs to the family cucurbitaceae. The present research work aimed to study the phytochemical composition, cytotoxic and antioxidant activities of C. colocynthis seed extract. The chemical characterization of C. colocynthis seeds was effectuated using a gas chromatograph coupled to a mass spectrometer (GC-MS). The cytotoxic activity of C. colocynthis seed extract against breast cancer cell lines (MDA-MB-231) and colon cancer cell lines (HT-29) was assessed using the WST-1 bioassay. The antioxidant power was evaluated by the DPPH assay. The phytochemical characterization of C. colocynthis seed extract showed the richness of C. colocynthis seed extract in several families of bioactive compounds. Regarding the cytotoxic activity, the IC50 (the half-maximal inhibitory concentration) of C. colocynthis seed extract in inhibiting MDA-MB-231 and HT-29 were 170.34 and 132.31 µg/mL, respectively. The cancerous cell lines MDA-MB-231 seem to be more sensitive to C. colocynthis seed extract than HT-29 cell lines. C. colocynthis seed extract exhibited a strong antioxidant power with an IC50 value of 1.37 mg/mL. Insight into the results obtained, C. colocynthis seed extract may be used as a promising weapon to fight against cancer and free radicals’ damage.

Withania frutescens (W. frutescens) is a medicinal plant that is largely used in the Morrocan pharmacopeia for disease treatment. This work was conducted to investigate the chemical characterization, analgesic, anti-inflammatory, and healing activities of W. frutescens. The chemical characterization of W. frutescens extract was done using HPLC; the anti-inflammatory test was performed with doses 300, 400 and 450 mg/kg, and the healing activity was assessed using two creams (extract 5% and extract 10%). Phytochemical analysis revealed the presence of phenolic compounds. The results of the anti-inflammatory test were more pronounced when compared with the reference drug with a maximum inhibition percentage of 82.20% ± 8.69 obtained at the dose of 450 mg/kg. Local application of 10% plant cream induced 80.17% ± 7.89 of inflammation inhibition when compared with the indomethacin drug 92.33% ± 11.27. The studied plant extract showed a promising healing activity with the following percentage: 99.03% ± 0.76 (extract 10%), 98.61% ± 1.91 (extract 5%), and 57.43% ± 2.97 (control); meanwhile, the value reached to 100% ± 0.02 for the drug that was used as a reference within the first 2 weeks. The plant studied in this work would be a promising source for conceptualizing effective drugs against inflammatory diseases.

Barbary fig called prickly pear is a plant belonging to family Cactaceae growing under hard climate conditions. A spiny variety of prickly pear named “Drbana” (Opuntia megacantha) and two non-spiny varieties named “Akria” and “Mlez” (Opuntia ficus-indica) growing in the Rhamna region (Morocco) were studied in terms of physicochemical characteristics. The physicochemical characterization (humidity, water activity, pH, total titratable acidity, Brix, and ash content) and the biochemical characterization (total carotenoid content, betalain content, total polyphenolic content, and ascorbic acid content) of the fruit pulp of prickly pear were performed according to the previously reported methods. The finding of physicochemical characterization of all studied varieties showed that the fruit pulp also contained an interesting bioactive compound classes in humidity, water activity, pH, total titratable acidity, Brix, and ash content. Regarding the biochemical characterization, the obtained finding showed the fruit pulp also contained an interesting bioactive compound classes particularly the total betalains, polyphenols, carotenoids, and ascorbic acids. Based on the obtained results in the current research work, we can affirm that the fruits of all studied varieties meet the requirement for being exploited in food, cosmetic, and pharmaceutical industries.

This study was performed to investigate the phytochemical profile, and the, in vitro, and, in silico, antioxidant and antibacterial properties of the essential oil (EO) extracted from Origanum compactum. EO phytochemical screening was examined by gas chromatography coupled to mass spectrometry. The antioxidant potential, in vitro, was assessed using reducing power(FRAP), free 2,2 diphenylpicrylhydrazyl (DPPH) radical scavenging and total antioxidant capacity tests. Antibacterial properties against two Gram (−) and two Gram (+) bacteria were assessed using the minimal inhibitory concentration (MIC) and the disc diffusion methods. By use of molecular docking, antioxidant and antibacterial activities of oregano EO were also tested. Thymol (75.53%) was the major compound among the nine compounds identified in the EO of Origanum compactum, followed by carvacrol (18.26%). Oregano EO showed an important antioxidant capacity, as tested by FRAP and DPPH assays, with EC50 and IC50 values of 13.300 ± 0.200 and 0.690 ± 0.062 mg/mL, respectively. The same EO has a total antioxidant capacity of 173.900 ± 7.231 mg AAE/g EO. The antibacterial results showed significant activity of Origanum compactum EO against all tested bacteria, especially against S. aureus (MIC = 0.25 mg/mL) and B. subtilis (MIC = 0.06 mg/mL). In silico, carvacrol was the most active molecule against nicotinamide adenine dinucleotide phosphate oxidase (2CDU) and S. aureus nucleoside diphosphate kinase (3Q8U) with a glide score of −6.082, and −6.039 kcal/mol, respectively. Regarding the inhibition of E. coli beta-ketoacyl-[acyl carrier protein] synthase (1FJ4), piperitenone was the most active molecule with a glide score of −7.112 kcal/mol. In light of the results obtained, the EO of Origanum compactum Moroccan species can be used as promising natural food conservatives and an agent to fight antibiotic-resistant nosocomial microbes.

To investigate the phytochemical composition, acute and sub-acute toxicity of the aqueous extract of B. dioica roots. The phytochemical analysis was performed using gas chromatography-mass spectrometry (GC-MS). The acute toxicity of the aqueous extract of B.dioica roots was assessed in mice with single doses ranging from 250 to 1000 mg/kg for 14 days. The sub-acute toxicity was carried out with repeated doses ranging from 64.5 to 250 mg/kg for 28 days. Histopathological changes and markers of renal and liver function were investigated. The results of GC-MS analysis showed the presence of interesting phytoconstituents. The clinical symptoms and mortalities that occurred in treated mice were more remarkable due to the increasing sample concentration of the studied extract. However, no mortalities, or histopathological, or biochemical disturbances were observed even at the maximal dose administered (250 mg/kg). The outcome of the present work suggests that the treatment of animals with single doses of B. dioica roots extract higher than 250 mg/kg produces significant toxicities, however, treatment with repeated doses up to 250 mg/kg for 28 days seems to be safe for animals.