Assessment of the effects of seasonal changes, urban discharges and leachates on the parasitological and bacteriological qualities of soil and water from Oued Larbaâ (North-eastern, Morocco).

The objective of this study is to evaluate the parasitological and bacteriological qualities of the soil and water of the Oued Larbaâ, through nine stations covering the part of the Oued crossing the Taza city of Morocco (7 km of length). This study was conducted during two dry periods (2017 and 2018) and one wet period (2018). Soil parasitological studies revealed high contamination by helminths belonging to the species Enterobius vermicularis and Toxocara sp., which recorded the highest concentrations in stations S2 and S8, respectively, with values of 11.41 and 29.26 eggs/g. Concerning water, the majority of stations indicated contamination mainly by Ascaris lumbricoides, which reached concentrations of 56.49, 37.39, and 56.15 eggs/l in stations S3, S6, and S8, respectively. Bacteriological examination of the soil showed very high concentrations of bacteria, especially Streptococcus, due to the high retention of this type of bacteria in the soil. The water analysis indicated that stations S3, S4, and S8 are the most impacted, with total coliform and Streptococcus concentrations in station S3 of 2.45 105 and 0.20 107 CFU/ml, respectively, Fecal coliforms and Staphylococci are detected in high concentrations in station S8 with values of 1.35 104 and 8.92 106 CFU/ml, respectively, and total aerobic mesophilic flora in station S4 with a concentration of 1.89 109 CFU/ml. During the study periods, influences of sampling season, nature of discharge existed (wastewater or leachate) on the parasitological and bacteriological composition of the river were established with high concentrations during the dry period and in the stations in which large amounts of liquid discharge were observed.

Evaluation of anthropic activities impact through the monitoring of aquatic fauna on Oued Lârbaa in Taza City of Morocco.

The accelerated development of industrial activities in Taza City implies the appearance of new sources of pollution that directly affect the quality of surface water. This is reflected in the structure and biodiversity of the city's Oueds, particularly Oued Lârbaa, which receives the majority of the pollution load produced. Therefore, the study of the benthic fauna can be an effective tool to characterize the state of the waters of Oued Lârbaa. The objective of our study is to assess the impact of anthropogenic activities on Oued Lârbaa, through the monitoring of physicochemical parameters (hydrogen potential (pH), salinity, conductivity, total dissolved solids (TDS), and oxidation-reduction potential) and biological biodiversity represented by benthic macroinvertebrates at 10 stations, during two periods of the year: a wet period (December 2018) and a dry period (June 2019). The spatial variations of recorded physicochemical parameters, as well as the effect of anthropogenic activities, control the diversity of macroinvertebrates at Oued Lârbaa. In relation to these data, the first stations of our study (S1-S2-S3) are moderately polluted, characterized by an important biodiversity, which includes sensitive species (Crustacea, Trichoptera, Ephemeroptera), and other resistant species (Diptera). The stations S4-S5-S6-S7-S8-S9 and S10 are characterized by a low biodiversity represented mainly by macroinvertebrates that colonize waters of critical quality (Diptera). The statistical study by principal component analysis consisting of a projection of the biological (benthic macroinvertebrates) and physicochemical variables obtained from each of the two study periods on a two-dimensional factorial plane shows the existing correlations between these variables.

Ecological types and bioindicator macrophyte species of pollution of riparian vegetation of Oued Lârbaa in Taza City of Morocco.

The object of our study is devoted to the Spermatophyta of the wetlands of Oued Lârbaa, the main river of the city of Taza, Morocco, and which is under strong anthropic pressure. Our work involved a floristic inventory, to define ecological types and groups of dominant plants in relation to seasonal factors and types of pollution, explaining the meaning of their presence. For this purpose, floristic sampling was carried out along the Oued during the dry periods (2017 and 2018) and the wet period (2018). A total of 66 plant species belonging to 54 genera and 30 families were identified, including 44 species during the wet period (2018) and 27 species during the dry periods (2017 and 2018). This difference is due to the favorable conditions for vegetation development during the period of precipitation and to the increase in pollution rates during the dry season. The inventoried flora shows the dominance of 10 ecological types characterized by the following plants: Cynodon dactylon, Arundo donax, Olea europaea, and Tamarix gallica (common between the two periods); Dittrichia viscosa, Visnaga daucoides, Typha angustifolia, and Ricinus communis (during the dry periods of 2017 and 2018); and Juncus maritimus and Populus nigra (during the wet period of 2018). The ecological types identified in this work decrease from the dry season to the rainy season, while specific richness increases. These dominant plants are all considered as bioindicators of the presence of heavy metals.

Theoretical analysis on D-π-A triphenylamine-based dyes for dye-sensitized solar cells: effect of π-bridges on the optoelectronic, and photovoltaic properties.

CONTEXT: The dye-sensitized solar cell is a technology unique in its light conversion properties as it operates with record efficiencies in diffused light conditions. The choice of the appropriate sensitizer is one of the important strategies to improve photovoltaic performance of DSSC devices. This theoretical study mainly aims to determine the impact of the π-spacer on the geometric and optoelectronic parameters of sensitizer dyes. For that, we have chosen six organic dyes of Donor-π-Acceptor structure based on triphenylamine unit as electron donor, cyanoacrylic acid as electron acceptor with various π-bridges. The results indicated that the doping process modify dihedral angles and electronic properties by enhancing the planarity and decreasing the gap energy. We have examined the optoelectronic and photovoltaic properties of studied triphenylamine based-dyes. Introducing thiophene and furan as π-spacer groups in D6 dye can effectively decrease the gap energy (Egap = 2.21 eV), broaden the absorption range (λmax = 671.19 nm), and promote the light-harvesting properties. The D2 dye based on two pyrrole units presents an improved electron injection driving force (ΔGinject = - 2.269 eV) and regeneration driving force corresponding to better charge separation. The π-bridge groups can efficiently tune the optoelectronic and photovoltaic properties of sensitizers, which contribute to the efficiency of solar cells. METHODS: The geometrical and electronic properties of all systems were studied by the DFT method using the correlation exchange functional B3LYP combined with 6-31G(d, p) basis set. On the other hand, the maximum absorption wavelengths λmax and the corresponding oscillator strengths were calculated using the hybrid functional BHandHLYP and 6-31+G(d) basis set. The solvent tetrahydrofuran (THF) are used to study the effect of the solvent, using the "Conductor-Polarizable Continuum" (C-PCM) model. All calculations were performed using Gaussian 09 program.

In Vitro Antimitotic and Hypoglycemic Effect Study and Acute Toxicity Assessment of the Aqueous and Organic Extracts of Chamaerops humilis L. var. argentea Andre.

Background. Chamaerops humilis L. var. argentea Andre is a plant widely spread in the region of Taza (North-East of Morocco); it is used in traditional phytotherapy against cancer, diabetes, inflammations, cardiovascular and respiratory diseases, and for the treatment of digestive disorders. Objective and Methods. The objective of our work is to contribute firstly, to the study of the in vitro antimitotic potential by the phytotest of Lepidium sativum and the evaluation of the in vitro antidiabetic activity of three enzymes (α-amylase, α-glucosidase, and ß-galactosidase) on nine aqueous and organic extracts prepared from the leaves of Chamaerops humilis. In addition, a correlation study was carried out on the chemical composition and the antimitotic and antidiabetic activities of Chamaerops humilis leaves. Then, we tested the acute toxicity of the decocted extract and the ethanolic extract. Results. The results of the antimitotic activity showed that the decocted extract showed a higher inhibitory activity than the other aqueous extracts (IC50 = 9.624 × 103 ± 95.97 µg/mL); for the organic extracts, the ethanolic extract and ethanolic macerated expressed the highest values for the cell growth inhibition test with an IC50 of 5.638 × 103 ± 22.61 and 5.599 × 103 ± 45.51 µg/mL with statistically nonsignificant difference. Regarding the antidiabetic activity, the decocted showed a higher inhibitory activity than the other aqueous extracts for α-amylase (IC50 = 1.781 · 105 ± 358.30 µg/mL), α-glucosidase (2.540 × 102 ± 3.14 µg/mL), and ß-galactosidase (7.118 × 102 ± 16.13 µg/mL); the ethanolic extract also revealed the highest inhibitory activity for α-amylase (IC50 = 8.902 × 103 ± 57.81 µg/mL), α-glucosidase (2.216 × 102 ± 1.39 µg/mL), and ß-galactosidase (2.003 × 102 ± 7.41 µg/mL). A strong correlation was recorded between the antimitic activity and the inhibitory capacity of ß-galactosidase and between these two activities and the chemical composition of Chamaerops humilis leaves. The acute toxicity study showed that the decocted and the ethanolic extract are weakly toxic with an LD50 greater than or equal to 5000 mg/kg. Conclusion. Chamaerops humilis could become a good source in traditional herbal medicine.

Ethnopharmacological Survey, Mineral and Chemical Content, In Vitro Antioxidant, and Antibacterial Activities of Aqueous and Organic Extracts of Chamaerops humilis L. var. argentea Andre Leaves.

Introduction: The present study is carried out for the first time on Chamaerops humilis L. var. argentea Andre from the region of Taza using an ethnopharmacological survey, an experimental study of the mineralogical and chemical compositions, and evaluations of the antioxidant and antibacterial activities. Methods: After conducting the ethnopharmacological survey, a mineralogical and phytochemical study involving the preparation of aqueous and organic extracts was done. Essential oils were also extracted by hydrodistillation. Subsequently, qualitative and quantitative chemical analyses were performed. In vitro evaluation of antioxidant activities was performed by five tests (H2O2, DPPH, ABTS, FRAP, and RP) and antibacterial activities by the disc method and determination of MIC and MBC. A principal component analysis (PCA) was performed to visualize the different correlations. Results: The different parts of the plant are used for the treatment of digestive disorders, cardiovascular diseases, and diabetes. In addition, the leaves are rich in mineral compounds, catechic tannins, flavonoids, and sterols. However, they have some traces of essential oils. The quantitative analysis revealed that the ethanolic macerated had a higher content of total polyphenols (100.27 ± 1.95 mg EAG/g E) and catechic tannins (52.11 ± 1.02 mg EC/g E). This extract had a strong antioxidant capacity (H2O2 (37.34 ± 0.55%), DPPH (IC50 = 31.18 ± 0.66 µg/ml), ABTS (108.28 ± 1.29 mg E AA/g E), FRAP (148.85 ± 0.43 mg E T/g E), and RP (10.86 ± 0.01 mg E AA/g E). The same extract had a bactericidal effect against Staphylococcus aureus. Principal component analysis (PCA) showed that antioxidant activity was highly correlated with the chemical composition of C. humilis leaves; a high correlation was recorded between the total polyphenol content and ABTS (r = 0.9779), FRAP (r = 0.9644), DPPH (r = 0.9418), and PR (r = 0.9271) tests. In addition, cathectic tannins were highly correlated with the tests of DPPH (r = 0.9753) and ABTS (r = 0.8843). Flavonoids were similarly correlated with DPPH (r = 0.8897) and ABTS (r = 0.7599) tests. Conclusion: These results could justify the traditional use of the leaves of Chamaerops humilis in the region of Taza for the treatment of some diseases.

Virtual screening of PEBP1 inhibitors by combining 2D/3D-QSAR analysis, hologram QSAR, homology modeling, molecular docking analysis, and molecular dynamic simulations.

Human phosphatidylethanolamine binding protein 1 (hPEBP1) is a novel target affecting many cellular signaling pathways involved in the formation of metastases. It can be used in the treatment of many cases of cancer. For these reasons, pharmaceutical companies use computational approaches, including multi-QSAR (2D, 3D, and hologram QSAR) analysis, homology modeling, molecular docking analysis, and molecular dynamic simulations, to speed up the drug discovery process. In this paper, QSAR modeling was conducted using two quantum chemistry optimization methods (AM1 and DFT levels). As per PLS results, we found that the DFT/B3LYP method presents high predictability according to 2D-QSAR, CoMFA, CoMSIA, and hologram QSAR studies, with Q2 of 0.81, 0.67, 0.79, and 0.67, and external power with R2pred of 0.78, 0.58, 0.66, and 0.56, respectively. This result has been validated by CoMFA/CoMSIA graphics, which suggests that electrostatic fields combined with hydrogen bond donor/acceptor fields are beneficial to the antiproliferative activity. While the hologram QSAR models show the contributions of each fragment in improving the activity. The results from QSAR analyses revealed that ursolic acids with heterocyclic rings could improve the activities. Ramachandran plot validated the modeled PEBP1 protein. Molecular docking and MD simulations revealed that the hydrophobic and hydrogen bond interactions are dominant in the PEBP1's pocket. These results were used to predict in silico structures of three new compounds with potential anticancer activity. Similar molecular docking stability studies and molecular dynamics simulations were conducted.

In silico modeling studies of N9-substituted harmine derivatives as potential anticancer agents: combination of ligand-based and structure-based approaches.

A computational study was carried out to develop quantitative-structure activity relationship (QSAR), pharmacophore, molecular docking and molecular dynamics simulations of a series of N9-substituted harmine derivatives in order to investigate the structural factors involved in the cytotoxic activity and thus design new active derivatives. A valid 3 D-QSAR (R2= 0.89, q2=0.67, R2pred = 0.72) and 2 D-QSAR (R2= 0.81, q2=0.69, R2pred = 0.76) models were obtained correlating the cytotoxic activity with hydrophobic and hydrogen bond acceptor (HBA) features for 3 D-QSAR and SlogP and a_acc descriptors for 2 D-QSAR. Analysis of the selected descriptors for both models highlighted that lipophilicity and hydrogen bonding acceptor atoms remain the crucial properties and those on which cytotoxic activity depends. Also, these findings are in agreement with the characteristics of the generated pharmacophore. Furthermore, molecular docking revealed that the binding energy (-9.74 kcal/mol) and inhibition constant (0.071 µmol) correlate with the activity of the most active compound that forms hydrophobic interactions and two hydrogen bonds with the the dual specificity tyrosine phosphorylation regulated kinase 1 A (DYRK1A). The molecular dynamics simulations revealed that the protein-ligand equilibrium is stable after 100000 fs of trajectories. Based on these results, we designed new N9-substituted harmine derivatives with improved properties: predicted cytotoxic activities, estimated binding energies, estimated inhibition constants and interaction modes with amino acid residues of DYRK1A, compared to the best compound in the studied dataset. Additionally, these newly designed inhibitors showed promising results in the preliminary in silico Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) evaluations.Communicated by Ramaswamy H. Sarma.

Mineral Analysis, In Vitro Evaluation of Alpha-Amylase, Alpha-Glucosidase, and Beta-Galactosidase Inhibition, and Antibacterial Activities of Juglans regia L. Bark Extracts.

In traditional medicine, various parts of the plant Juglans regia L. are used to treat several pathological conditions including diabetes and infectious and periodontal diseases. This includes the bark of Juglans regia. The present study is aimed at evaluating for the first time the mineral composition, investigating the antidiabetic and antibacterial properties of Moroccan J. regia bark, and finally determining the correlations between the chemical composition of the tested extracts and their biological activities. The mineral composition was determined using inductively coupled plasma atomic emission spectroscopy. Then, nine extracts were prepared by different methods and modalities of extractions and investigated for their antidiabetic activities, via tests of inhibition of alpha-amylase, alpha-glucosidase, and beta-galactosidase enzymes, and for their antibacterial activities against six strains involved in infectious diseases and periodontology. Finally, the correlation between the chemical compositions of the different extracts prepared and their antidiabetic and antibacterial potencies was determined by Principal Component Analysis (PCA). J. regia is an important source of mineral elements, mainly Fe (19849.8), K (3487.8), Mg (2631.03), and P (691.02) mg/kg plant material. All the extracts of J. regia possess antidiabetic activity, and in particular, the macerated acetone extract gave the highest inhibitory activity against alpha-amylase (IC50 value of 5445.33 ± 82.58 µg/mL), alpha-glucosidase (IC50 value of 323.7 ± 1.71 µg/mL), and beta-galactosidase (IC50 value of 811.2 ± 8.32 µg/mL). For the results of antibacterial activity, the macerated acetone extract at the concentration of 80 mg/mL was found to be the most active by inducing inhibition diameters of 12, 17, 18, 11, 14.5, and 16 mm against Escherichia coli, Proteus mirabilis, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, and Listeria innocua, respectively. PCA allowed us to deduce that the extracts richer in polyphenols, in particular, the two acetone and ethanol macerates, have a better antidiabetic activity against alpha-glucosidase as well as a better antibacterial activity. The results of the present study revealed that the aqueous and organic macerate extracts showed a better antidiabetic activity and justified the use of J. regia bark as an antibacterial and antiseptic agent in traditional Moroccan medicine in the treatment of dental affections.

Quantitative structure-activity relationships analysis, homology modeling, docking and molecular dynamics studies of triterpenoid saponins as Kirsten rat sarcoma inhibitors.

Oncogenic Kirsten RAt Sarcoma (KRAS) mutations are attractive targets in non-small-cell lung cancer (NSCLC). Thus, the objective of this work is to discover promising inhibitors that target this protein using in silico methods that have become increasingly cost-effective in research and development of drugs. In this study, 24 triterpenoid saponins were selected for designing the potent inhibitors using different methods: quantitative structure activity relationships (QSAR) analysis, homology modeling, as well as molecular docking, molecular dynamics (MD) simulation and in silico Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) screening. The selected model was presented high-squared cross-validation coefficient Q2 = 0.85, and external validation R2pred = 0.75. In addition, the best comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) models presented high values of Q2 = 0.77 and 0.784 and values of R2pred = 0.87 and 0.83, respectively. After that, homology modeling was carried out for modeling the selected target and then validated by both Ramachandran plot and Qualitative Model Energy ANalysis (QMEAN) score of 0.83, indicating the best accuracy of the modeled protein with the experimental results. Furthermore, molecular docking study was conducted to better understanding the binding mechanism of homologous protein with triterpenoid saponins. In addition, MD simulations confirmed the stability of the selected complex systems during 10,000 femtosecondes (fs). According to these studies, three molecules were picked out as potential inhibitors. Indeed, the oral bioavailability and the toxicity of the predicted triterpenoid saponins have been found respecting the ADMET properties. Communicated by Ramaswamy H Sarma.

Computational study of the effect of π-spacers on the optoelectronic properties of carbazole-based organic dyes.

In this article, we studied a series of dye-sensitized solar cells (DSSCs) type Donor-π-Acceptor involving carbazole as donors and cyanoacrylic acid as acceptors of the electrons. These cells are linked by different π-spacer unit's, with the aim to develop new organic dyes with high-performance optoelectronic properties. Different units have been introduced in the π-bridge in order to investigate their effects on the structural and optoelectronic properties of the studied compounds, as well as their adsorbed compounds-titanium dioxide (TiO2) semi-conductor. We evaluated and assessed the important relevant parameters that influence the performance of photovoltaic cell to measure their involvement in the short-circuit photocurrent density (Jsc). Using Density Functional Theory (DFT) and Time-Dependent-BHandHLYP, the geometrical and optoelectronics properties have been predicted theoretically. The results obtained indicate that introducing the oxazole (S5) and thiazole (S6) molecules in the π-spacer have significant impact on the geometric properties for D5-D6 dyes. This results in the fact that dye D5 has a planar structure. Also, the insertion of the thiophene, oxazole and thiazole units improves the energies of the HOMO and LUMO molecular orbitals of D1, D5, and D6 dyes. Moreover, these results show the ability of electron transfer and regeneration from the studied sensitizers (D1-D6). Also, it can be noted that the application of the pyrrole group in the π-spacer moiety of the dye (D2) improves the electron's transfer performance with a lower regeneration motive force ΔGreg, a more negative injection driving forces (ΔGinject), and a higher values of open circuit-voltage (Voc).

Mineral Content, Chemical Analysis, In Vitro Antidiabetic and Antioxidant Activities, and Antibacterial Power of Aqueous and Organic Extracts of Moroccan Leopoldia comosa (L.) Parl. Bulbs.

Medicinal plants are a rich source of bioactive phytochemicals or bionutrients. Studies carried out during the past few decades have shown that these phytochemicals play an important role in preventing metabolic diseases such as cancer and diabetes. The present study was dedicated to the analysis of mineral and chemical composition and evaluation of antidiabetic, antioxidant, and antibacterial properties of aqueous and organic extracts of Leopoldia comosa, a plant with a long history of therapeutic and food use. Mineral content was determined using inductively coupled plasma atomic emission spectroscopy. Chemical composition was carried out by extraction of essential oils, preparation of aqueous and organic extracts, and qualitative and quantitative analysis. The biological study consisted of the evaluation of antidiabetic activity by inhibition of three enzymes, antioxidant activity by five tests, and antibacterial activity by the disc diffusion method. The correlation between chemical composition and antidiabetic and antioxidant properties was explored by PCA. The results showed that L. comosa contains high levels of Fe, K, P, Na, Cu, Mg, and Ca with values, respectively, in the order of 33552, 1843.14, 756.36, 439.65, 303.9, 272.37, and 20.55 mg/kg. Quantitative analysis showed that the diethyl ether extract had the highest content of polyphenols (129.75 ± 0.29 µg GAE/mg E), flavonoids (988.26 ± 0.18 µg QE/mg E), and tannins (30.22 ± 0.15 µg CE/mg E). All extracts of L. comosa possess inhibitory activity of alpha-amylase, alpha-glucosidase, and beta-galactosidase enzymes, mainly the decocted and the acetone extract. The antioxidant results showed that organic extracts are more active than aqueous extracts especially diethyl ether extract which was similarly found to have an antibacterial effect on Listeria innocua and Proteus mirabilis. PCA allowed us to deduce that phenolic compounds, flavonoids, and tannins are strongly correlated with antioxidant and antidiabetic activity. L. comosa may have potential remedy in the prevention of metabolic disease.

Mineral Composition, Phenolic Content, and In Vitro Antidiabetic and Antioxidant Properties of Aqueous and Organic Extracts of Haloxylon scoparium Aerial Parts.

Haloxylon scoparium is a plant widely used in traditional medicine for the treatment of diabetes. Hence, this study focuses on the mineralogical and chemical composition and evaluation of the antidiabetic and antioxidant activities of the aerial part of this species. The mineralogical analysis was done by inductively coupled plasma atomic emission spectrometry (ICP-AES). The phytochemical study consisted in the preparation of different extracts from the aerial part by aqueous and organic extraction using Soxhlet and cold maceration. Then, phytochemical screening was performed on the plant powder and on the extracts, which is completed by spectrophotometric quantification of total polyphenols, flavonoids, and catechic tannins. The evaluation of antidiabetic activity was done by three enzymes: a-amylase, a-glucosidase, and ß-galactosidase, and that of antioxidant activity was done by five methods: H2O2, DPPH, ABTS, FRAP, and reducing power (RP). Mineralogical analysis revealed the presence of iron, potassium, magnesium, phosphorus, sodium, copper, calcium, strontium, selenium, and zinc. The studied part is rich in alkaloids, flavonoids, catechic tannins, and saponins. The methanolic extract is rich in total polyphenols (161.65 ± 1.52 Ug EAG/mg E), and the ethyl acetate extract has high levels of catechic tannins (23.69 ± 0.6 Ug EC/mg E). In addition, the decoctate expresses a high flavonoid content of 306.59 ± 4.35 Ug EQ/mg E. The in vitro evaluation of the antidiabetic activity showed that the decoctate has a higher inhibitory capacity on a-glucosidase (IC50 = 181.7 ± 21.15 ug/mL) than acarbose (IC50 = 195 ± 6.12 ug/mL). The results of the antioxidant activity showed that the methanolic extract and the decoctate present a percentage of hydrogen peroxide (H2O2) scavenging (20.91 ± 0.27 and 16.21 ± 0.39%) higher than that of ascorbic acid (14.35 ± 0.002%). Positive correlations obtained between the total polyphenol content and the antioxidant activity of the extracts were studied. A positive correlation of a-amylase inhibitory activity was also recorded with the antioxidant activity tests.

Phytochemical Content, Antibacterial and Antioxidant Potential of Endemic Plant Anabasis aretioïdes Coss. & Moq. (Chenopodiaceae).

This study aims to investigate the biological activities of endemic plant Anabasis aretioïdes harvested in eastern Morocco. Various extracts were prepared from aerial part by aqueous and organic extraction using a Soxhlet and cold maceration. Preliminary phytochemical analysis was carried out on the powder and on the different extracts by standard phytochemical tests, and was confirmed by a quantitative analysis based on the determination of total polyphenols and cathechic tannins. Antioxidant activity was evaluated in vitro by five methods: H2O2, DPPH, ABTS, FRAP, and RP, and the antibacterial activity was carried out by disc diffusion method and the determination of MIC and MBC. Phytochemical screening revealed the presence of cathechic tannins, saponins, and sterols and quantitative analysis showed that Ethyl acetate extract presented the high level of phenolic and cathechic tannins contents (46.79 ± 0.75 µg GAE/mg E and 46.46 ± 0.67 µg CE/mg E). A highest hydrogen peroxide activity was observed in aqueous macerated extract (7.84 ± 0.44%) and the macerated methanol extract has the highest rates for the other four antioxidant activity tests: It was able to reduce DPPH with an IC50 of 52.91 ± 0.24 µg/ml, the highest ABTS•+ radical scavenging capacity (48.99 ± 1.316 µg TE/mg E), it showed also the highest antioxidant activity by the FRAP and reducing power test (99.73 ± 3.570 µg TE/mg E and 72.176 ± 0.540 µg AAE/mg E). Antibacterial screening showed that the maximum zone of inhibition was noted for ethyl acetate extract against Staphylococcus aureus (13.5 mm). The lowest MIC value was obtained with methanolic and macerated methanolic extracts against Protéus mirabilis strain (MIC = 3.125 mg/ml). Principal component analysis showed that the four methods ABTS, DPPH, FRAP, and RP are highly correlated and a correlation between the antioxidant activity and the total phenolic contents of the extracts indicated that phenolic compounds were the dominant contributors to the antioxidant activity of the plant.

Phytochemical investigation, in vitro and in vivo antioxidant properties of aqueous and organic extracts of toxic plant: Atractylis gummifera L.

ETHNOPHARMACOLOGICAL RELEVANCE: Atractylis gummifera is a toxic plant widely used in Mediterranean traditional medicine against colds, dizziness, and headaches, as an antisyphilitic, against boils, as a purgative, emetic and deworming. All studies reported on this plant have been carried out either on the plant and its traditional uses, or on cases of poisoning by this plant. However, few pharmacological studies have readjusted the traditional uses of this plant. AIM OF THE STUDY: The purpose of this article is to carry out a preliminary phytochemical study of Atractylis gummifera and to evaluate in vitro and in vivo antioxidant activity of its aqueous and organic extracts and to provide a complementary analysis of the mechanisms of action of the different antioxidant activity tests studied. METHODS: The phytochemical study consisted of the hot and cold preparation of aqueous extracts: (decocted, infused, macerated), organic extracts: (methanolic, methanolic macerated, chloroformic, ethyl acetate, petroleum ether) and the determination of the secondary metabolites of these extracts. In addition, the biological study consisted of evaluating antioxidant activity in vitro by five different methods (H2O2 radical reduction, DPPH, ABTS, FRAP and RP) and in vivo by SOD and MDA assays. RESULTS: The methanolic macerated is the richest in total polyphenols (102 ±â€¯1.38 mg EAG/gE), tannins (144.09 ±â€¯3.96 mg EC/gE) and flavonoids (17.25 ±â€¯0.06 mg ER/gE). The same extract has the highest percentage to inhibit hydrogen peroxide (19.24 ±â€¯1.10%) and the most potent reducing power of the ABTS radical (122.6 ±â€¯0.63 mg ET/gE). We also noted that aqueous macerated has the most potent anti-radical activity of DPPH with an IC50 of 2.78 ±â€¯1.03 µg/mL, the strongest reducing power of iron 96.15 ±â€¯1.12 mg EAA/gE and which was confirmed by the FRAP test (102.5 ±â€¯1.66 mg ET/gE). These results are in agreement with the in vivo study which showed an increase in SOD secretion in diabetic mice treated with aqueous macerated extract (904.26 ±â€¯29.10 units/g liver and 714.16 ±â€¯24.83 units/g kidney) and methanol macerated extract (813.61 ±â€¯24.03 units/g liver and 719.46 ±â€¯42.10 units/g kidney) with a statistically insignificant difference between these two extracts. Furthermore, we observed a return to normal MDA levels in mice treated with aqueous macerated extract (128.61 ±â€¯15.76 nM/g liver and 103.18 ±â€¯12.67 nM/g kidney) and methanol macerated extract (130.73 ±â€¯10.73 nM/g liver and 34.28 ±â€¯5.73 nM/g kidney). CONCLUSION: The aqueous and organic extracts more particularly those prepared by aqueous and methanolic macerations are rich in polyphenols, flavonoids and tannins, and they represent a rich source of natural antioxidants, also they prevent lipid peroxidation and stimulate the secretion of the enzymatic antioxidant SOD.