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Background:: Calamintha nepeta is a plant from the Lamiaceae family that is known for its traditional use to treat diabetes among Algerian populations. However, till now, there has been no research work to confirm this activity. background: Calamintha nepeta is a plant from the Lamiaceae family which is known for its traditional use to treat diabetes in Algerian populations. Until now there have been no research work to confirm this activity. Objectives:: This work aimed to evaluate the amylase inhibitory activity of essential oils and phenolic compounds from both methanolic and aqueous extracts of Algerian Calamintha nepeta (L.). objective: The evalutation of the antiamylatic activity of essential oil, methanolic and aqueous extracts from Algerian Calamintha nepeta (L.). Methods:: The essential oil was obtained by hydrodistillation and analyzed using GC and then GC/MS. Aqueous and methanolic extracts were obtained from the remains of the hydrodistillation. Total phenolic compounds were quantified using the Folin-Ciocalteu method. The amylase inhibitory activity of the extracts was determined by testing their ability to inhibit alpha-amylase. Results:: The extraction yield was 0.67 % (w/w) for the essential oil, and 11.85 and 4.38 % (w/w) for the aqueous and methanolic extracts, respectively. The essential oil analysis revealed that menthone, menthol, pulegone, and pulegone oxide were the main components of the oil. The total phenolic compounds in the aqueous and methanolic extracts were 41.81 and 32.92 mg GAE/g DW, respectively. The extracts inhibited α-amylase activity with IC50 values of 24.46, 31.54, and 115.47 mg/ml for the methanolic extract, essential oil, and aqueous extract, respectively. result: Extraction yield was 0.67 %(w/w) for the essential oil, and 11.85 and 4.38 %(w/w) for the aqueous and methanolic extracts respectively. The essential oil analysis revealed that menthone, menthol, pulegone and pulegone oxide were the main components. Total phenolic compounds for the aqueous and methanolic extracts were respectively 41.81 and 32.92 mg GAE/g. The different extracts showed inhibition activity towards α-amylase with IC50 values equal to : 24.46 ; 31.54 and 115.47mg/ml for the methanolic extract, the essential oil and the aqueous extract respectively. Conclusion:: The different extracts of Calamintha nepeta showed an interesting composition and significant amylase inhibitory activity, emphasizing their successful use in traditional medicine. conclusion: The different extracts of Calamintha nepeta showed an interesting composition, and a significant antimaylatic activity. other: future profound studies are necessary to identify the active molecules

Background: Plants are a main source of drugs for the therapy of a large number of diseases. Objective: The aim of the present work is to evaluate the in vitro antioxidant and anti-α-amylase and anti-peroxidases (HPR) potentials of phenolic extracts obtained from three spontaneous plants; growing in the South of Algeria such as (Chamomilla pubescens, Pulicaria crispa, and Rhanterium adpressum). This is the first report on the study of α-amylase and horseradish peroxidase (HRP) inhibitory activity for phenolic extracts from the Chamomilla pubescens and Pulicaria crispa plants. Method: The antioxidant activity was evaluated in vitro using four tests: DPPH, CUPRAC, FRAP, and ABTS. The phenolic, flavonoid, and tannin compounds of the three selected Algerian plants were quantified. Also, the inhibition of α-amylase and HRP was evaluated. Results: The quantification of the total phenolic contents revealed that they are widely variable, and depending on extraction solvents, the highest content was recorded by the ethyl acetate extract of Chamomilla pubescens (flowers) 774.93±60.14mg/100 g of dry matter. In all the antioxidant tests, ethyl acetate extracts showed the most effective activity, which the best was (VCEAC = 65.62 ±0.50 µM/g dry matter) of Pulicaria crispa for the DPPH test. Furthermore, the results of α-amylase and peroxidase inhibitory effects indicated that all plants extracts have inhibitory effects on the two enzymes, with AEIC values ranged from 76.55±3.54 to 149.54±6.68 μM/g of dry matter for the α-amylase, and CEIC values ranged from 8.89±2.22 to 9668.31±254.42 μM/g of dry matter for the peroxidase (HRP). Conclusion: The present study results suggest that the three Algerian spontaneous plant species (Rhanterium adpressum, Pulicaria crispa, and Chamomilla pubescens) inhibit peroxidase and α-amylase and exhibit a high antioxidant activity what can be related to the treatment of diabetes and thyroid diseases.

Background: Inhibition of α-amylase and α-glucosidase is considered as an important therapeutic target to manage type 2 diabetes mellitus (T2DM), reducing postprandial hyperglycemia (PPHG). Objective: The present work explored the antidiabetic activities of five artificial food colorings by α- amylase and α-glucosidase enzyme inhibition in vitro and in Silico. Methods: In this study, inhibition of α-amylase and α-glucosidase was evaluated. Further, the interaction between enzymes (α-amylase and α-glucosidase) and ligands (food colorings) was followed by QSAR and molecular docking studies. Results: The in vitro results obtained show that the blue patent (SIN131) exhibited more potent inhibition with IC50 values of 0.03± 0.01 mM and 0.014±0.001 mM against α-amylase and α-glucosidase inhibition respectively compared to acarbose. The QSAR study found a strong correlation between IC50 values with four molecular descriptors. This linear regression confirms that a strong polarity (Apol) and low hydrophobia (ALogP) favor the inhibitory effect of these colorings toward both enzymes. Also, a negative role of the number of heavy atoms has been demonstrated in the phenomenon of inhibition of this enzyme. Finally, the descriptor εlumo (electronic affinity) plays a crucial role on the inhibitory power of these dyes toward both enzymes by electron transfer. The virtual screening of the inhibition of α-amylase and α-glucosidase by these colorings, using Molegro Virtual Docker (MVD), allowed us to obtain stable complexes with interaction energies resulting from the place of hydrogen bonds and several hydrophobic interactions. However, the sulfonate groups of these colorings can be the major factors in the inhibition of these enzymes. On the other hand, Rerank Score with the pose are perfectly correlated (R2> 0.76) to the inhibitory activity of these food colorings measured experimentally. Conclusion: The present study suggests that the Blue Patent V (SIN131) effectively acts as α-amylase and α-glucosidase inhibitor leading to a reduction in starch hydrolysis and eventually to lower glucose levels.

Background: Research on medicinal plant antioxidants has emerged as a potential therapeutic to prevent free radical generated damage in the human body. Hammada elegans Botsch (popularly known as “Ajram”) is a xerophytic plant widely found in Laghouat region, but there are only a few reports about the biological or chemical properties of these species. Hence, the aim of this study is to investigate the antioxidant and the antihemolytic activities of hexanic, acetonic, methanolic and aqueous extracts of aerial parts of Algerian Hammada elegans Botsch by employing different in vitro assay systems. Methods: The total phenolic content, the flavonoid content and the condensed tannin amount were analyzed using Folin-Ciocalteu, aluminum chloride and vanillin assays, respectively. The in vitro antioxidant capacity of extracts was assessed by CUPRAC, iron chelating, ABTS•+ and antihemolytic assays, and was expressed as EC50 values. Results: Among the analyzed extracts, the aqueous extract had the highest phenolic, flavonoid and tannin contents. Also, this extract displayed the highest antioxidant capacities compared to the other extracts and standards. Its EC50 value for ABTS radical-scavenging activity was 0.265 ± 0.003 mg/L. Moreover, this extract showed high iron (II) chelating ability (EC50 = 0.958 ± 0.001 mg/L), and good antioxidant activity in the cupric ion reducing activity (CUPRAC) in a concentration dependent manner (EC50 were 0.709 ± 0.002 mg/L). Additionally, this extract had the best antihemolytic activity against AAPH-induced hemolysis (EC50=0.090 ± 0.004 mg/L). Conclusion: Our study revealed that the aqueous extract of Hammada elegans Botsch, is a potential source of antioxidants which possess a high protective effect of membrane against free radical.

Defensive gall traits against natural enemies, such as predators and parasitoids, attracted much attention of ecologists and evolutionary biologists. To our knowledge, naturally occurring antioxidant compounds present in Pistacia atlantica Desf. Galls have not yet been reported and characterized. The objective of this study is to evaluate the effects of the harvest period and plant gender on these antioxidant activities. Furthermore, peaks present in chromatographic fingerprints, probably showing significant antioxidant activities, were identified. Three antioxidant assays, 2,2 diphenyl-1-picrylhydrazyl (DPPH) and 2,2 azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging besides the ferric reducing antioxidant power (FRAP), were applied to determine the total antioxidant activity in galls from both genders of Pistacia atlantica. Fingerprints of ten P. atlantica gall extracts were obtained by Ultra Performance Liquid Chromatography (UPLC). Extensive pre-treatment of the data and a linear multivariate calibration technique, Partial Least Squares (PLS), were used for model construction. Our findings highlighted that gender and harvest period affected the antioxidant activities. Major peaks, potentially influencing the antioxidant activity of the samples, were indicated by studying the regression coefficients of the PLS models. Individual antioxidant compounds of P. atlantica galls were identified by UPLC coupled to a hybrid quadrupole orthogonal time-of-flight mass spectrometer (Q-TOF/MS). The phenolic compounds methyl gallate and valoneic acid dilactone were considered to be important antioxidants in the FRAP and scavenging ABTS assays, while quinic acid showed to be the main component influencing the antioxidant activity measured with the DPPH method. The findings of the present study suggest that P. atlantica gall might be used as an accessible source of natural antioxidants and for the treatment of diseases resulting from oxidative stress.

Essential oils (EO) from leaves and flowers of Rhanterium adpressum have shown to inhibit the mycelial growth and type B trichothecenes production. The four strains of Fusarium culmorum and Fusarium graminearum were inhibited with 0.25 μL.mL-1 of each oil. The inhibitory activity of 11 sesquiterpenes identified in these oils was here examined in silico against two key enzymes in the biosynthesis pathway of trichotecenes namely: 15-O-trichothecene acetyltransferase and 3-O-trichothecene acetyltransferase. In sesquiterpene composition, T-Muurolol and α-Eudesmol have the highest percentages ranging from 1.4 to 2.75 %. Three-dimensional structures of these two enzymes were modeled using SWISS-MODEL with GMQE = 0.93 and QMEAN = -0.45 for 3-O-trichothecene acetyltransferase and GMQE = 0.93, QMEAN = -0.58 for 15-O-trichothecene acetyltransferase. By the results of docking, T-Muurolol and α-Eudesmol showed high affinity compared to 15-Decalonectrin and Deoxynivalenol. These molecules are all sesquiterpenes with no major conformational difference with an RMSD of 3.7 Å and 3.5 Å between 15-decalonectrin and α-Eudesmol, T-Muurolol respectively. The results of docking prove the inhibitory effect of R. adpressum EO sesquiterpenes on the enzymes of mycotoxins biosynthesis pathway of F. culmorum and F. graminearum.

Background and Objective: The present paper aims to study the inhibition of Candida albicans growth as candidiasis treatment, using seeds of Lepidium sativum as source. Methods: In vitro assays were carried out on the antifungal activity of three kinds of extracts from L. sativum seeds against four strains of C. albicans, then testing the same phytochemicals on the inhibition of Lipase (LCR). A new in silico study was achieved using molecular docking, with Autodock vina program, to find binding affinity of two important and major lepidine alkaloids (lepidine E and B) towards the four enzymes secreted by C. albicans as target drugs, responsible of vitality and virulence of this yeast cells: Lipase, Serine/threonine phosphatase, Phosphomannose isomerase and Sterol 14-alpha demethylase (CYP51). Results: The results of the microdillution assay show that the hexanic and alkaloidal extracts have an antifungal activity with MICs: 2.25 mg/ml and 4.5mg/ml, respectively. However, Candida rugosa lipase assay gives a remarkable IC50 values for the hexanic extract (1.42± 0.04 mg/ml) followed by 1.7± 0.1 and 2.29 ± 0.09 mg/ml of ethyl acetate and alkaloidal extracts respectively. The molecular docking confirms a significant correlation between C. albicans growth and inhibition of crucial enzymes involved in the invasion mechanism and cellular metabolisms, for the first time there were an interesting and new positive results on binding modes of lepidine E and B on the four studied enzymes. Conclusion: Through this work, we propose Lepidine B & E as potent antifungal drugs.

Polyphenolic and Terpenoids are potent natural antiparasitic compounds. This study aimed to identify new drug against Leishmania parasites, leishmaniasis’s causal agent. A new in silico analysis was accomplished using molecular docking, with the Autodock vina program, to find the binding affinity of two important phytochemical compounds, Masticadienonic acid and the 3-Methoxycarpachromene, towards the trypanothione reductase as target drugs, responsible for the defense mechanism against oxidative stress and virulence of these parasites. There were exciting and new positive results: the molecular docking results show as elective binding profile for ligands inside the active site of this crucial enzyme. The ADMET study suggests that the 3-Methoxycarpachromene has the highest probability of human intestinal absorption. Through this work, 3-Methoxycarpachromene and Masticadienonic acid are shown to be potentially significant in drug discovery, especially in treating leishmaniasis. Hence, drug development should be completed with promising results.

Background and Objective: Lipase inhibitors have gained great interest because they could help in the therapy of many diseases, however, unfortunately, only a few drugs are currently available on the market. Therefore, the aim of this work was to evaluate for the first time the lipase inhibition effect of Thapsia garganica extracts from seeds, leaves and roots. Methods: Polyphenols and flavonoids contents were determined using spectrophotometric method. Inhibitory activity of ethyl acetate extracts from seeds, leaves and roots of T. garganica against Candida rugosa lipase was determined. To uncover the active constituents responsible for this anti-lipase activity, further investigations were performed by employing theoretical docking simulations, using AutoDock Vina program to discuss the nature of interactions and the inhibition mechanism by major bioactive compounds synthesized by this plant. Results: Seeds, leaves and roots extracts of T. garganica showed appreciable contents of polyphenols and flavonoids which is most in seeds extract with 2.90±0.02mg GAE/gdw and 1.53±0.05mg QE/gdw, respectively. Hence, their inhibitory activities against Candida rugosa lipase were determined as IC50 of 1.19mg/ml, 1.96mg/ml and 1.87mg/ml, respectively. Docking simulations have shown that nortribolid and tribolid are best inhibitors for both lipases (Candida rugosa and human pancreatic lipases). Conclusion: Testing the anti-lipase activity of the ethyl acetate extracts of T. garganica revealed a potent lipase inhibition activity, which suggests the use of these molecules as anti-obesity drugs.

Background:The genus Linaria belongs to the Scrophulariaceae family. It is a large genus comprising about 200 species. Various parts of several Linaria species have been reported to exhibit various biological effects. In Algeria especially in the Sahara and steppe regions, the different species of Linaria have several uses in dietary application.Objective:The aims of this study are to evaluate the α-Glucosidase and α-Amylase inhibitory effects and the antioxidant activity using in vitro assays by an organic extract of the aerial part of Linaria aegyptiaca collected in two months, April and June, from southern Algeria.Methods:The extracts were obtained with successful maceration in (hexane, dichloromethane, acetone and methanol). The phenolics and flavonoids contents of L. aegyptiaca extracts were evaluated with Folin- Ciocalteu and aluminum chloride reagents, respectively. Then, we studied their inhibitory effects on α-Glucosidase and α-Amylase enzymes. The antioxidant potential was determined in vitro with DPPH, ABT and Phosphomolybdate tests.Results:The highest phenolic and flavonoid content were detected in the methanolic extracts of Linaria aegyptiaca collected in April. All the extracts showed good inhibitory activity on both enzymes, where the best activity was against α- amylase by acetonic extract collected in June with an IC50 = 95.03 μg/ml. The evaluation of antioxidant activity showed that all the extracts exhibited a good antioxidant capacity compared to standard antioxidants.Conclusion:The aim of this research is to establish the anti-diabetic properties and the probable alpha glucosidase and alpha amylase inhibitory activities of Algerian Linaria aegyptiaca species. These results show that this species has good antioxidant properties and a good potential for hyperglycemia management, too. The Algerian Linaria aegyptiaca can be considered as a natural source of anti-hyperglycemic treatment and might be interesting for the prospect of new molecules with antidiabetic effect.

Peroxidase inhibition produced by phenolic compounds as hispidin and gallic acid, alkaloids as harmine and natural extracts of Inonotus hispidus, and Marrubium vulgare were investigated in this stu...

2019-nCoV Coronavirus spread all over the world and obliged one billion people in open confinement, no treatments or vaccine have been yet found against this pandemic. The Main Protease (Mpro) is an attractive drug target, because it is the essential protein for the virus invasion. This study aims to test in silico the effect of five vitamins and a natural antioxidant against Mpro, using molecular docking study, with Autodock Vina and Discovery Studio visualizer softwares. The used inhibitors were chosen based on their beneficial properties such as Tocopherol (vitamin E), Thiamine (vitamin B1), Pantothenic acid (vitamin B5), Pyridoxine (vitamin B6), Biotin (vitamin B7), and Glutathione (GSH), the best inhibitor pose was chosen based on the repetition ratio (RR) and the minimum affinity energy value (MEV). The results show that Glutathione is the best inhibitor model among the other tested vitamins in the active site of Mpro with a RR value of 94% and MEV of - 5.5 kcal/mol, the compatibility of Glutathione structure inside the binding pocket as a tripeptide model found to be similar to the native ligand of Mpro. Moreover, Thiamine, Biotin, and Tocopherol are saved as satisfied inhibitors to Mpro, Pyridoxine was the weakest inhibitor. Depending on this result, we recommend the use of Glutathione and vitamin B family as a supportive strategy for the treatment of COVID-19.

The current study investigated the effect of developmental stages on the chemical composition and the antioxidant activity of fifteen crude oil samples obtained from Pistacia atlantica Desf. leaves, galls, and fruits. Twelve fatty acids were detected by GC/FID, linolenic acid (C18 : 3) was the major fatty acid detected in leaves crude oils that registered [41.73 % (P

Background: 2019-nCoVis, a novel coronavirus was isolated and identified in 2019 in the city of Wuhan, China. On February 17, 2020 and according to the World Health Organization, 71, 429 confirmed cases worldwide were identified, among them 2162 new cases were recorded in the last 24 hours. One month later, the confirmed cases jumped to 179111, with 11525 new cases in the last 24 hours, with 7426 total deaths. No drug or vaccine is present at the moment for human and animal coronavirus. Methods: The inhibition of 3CL hydrolase enzyme provides a promising therapeutic principle for developing treatments against CoViD-19. The 3CLpro (Mpro) is known for involving in counteracting the host innate immune response. Results: This work presents the inhibitory effect of some natural compounds against 3CL hydrolase enzyme, and explains the main interactions in inhibitor-enzyme complex. Molecular docking study was carried out using Autodock Vina. By screening several molecules, we identified three candidate agents that inhibit the main protease of coronavirus. Hispidin, lepidine E, and folic acid are bound tightly in the enzyme, therefore strong hydrogen bonds have been formed (1.69-1.80Å) with the active site residues. Conclusion: This study provides a possible therapeutic strategy for CoViD-19.

SARS-CoV-2 is a novel coronavirus was isolated and identified first time in 2019 in Wuhan, China. Nowadays, it is a worldwide danger and the WHO named it as a pandemic. With a number of 5,593,631 as confirmed cases, and 353,334 as deaths. On 17 February, we have started our researches for finding potential inhibitors for COVID-19 main protease, especially after publishing the first crystalline structure of this protein in the PDB with PDB ID: 6lu7. We have found three potent molecules Hispidin, Folic acid and Lepidine E with Ki values 5.21, 3.71 and 1.89 μM respectively. Continuing the same context and in order to determine more inhibitors as potential strategy for COVID-19 treatment by molecular docking. We detected Amoxicillin and clavulanate as very strong inhibitors with a rate of 100% to the nCov-19 main protease and RNA-dependent RNA polymerase by several hydrogen bonds and hydrophobic interactions. In addition, we have docked both inhibitors to Spike protein domain of the virus responsible for its binding to the ACE2 receptors in the lungs and other vital organs. The results show that the ligands bound tightly with this latter confirming multiple effect and target of the drugs. Funding Statement: DGRSDT of Algeria Declaration of Interests: None to declare Ethics Approval Statement: Not needed

The widespread use of Deverra scoparia Coss. & Durieu in Algerian folk-medicine as a remedy can be relatively attributed to its total phenolic compounds. The current study aimed to provide a scientific basis for optimal collection and usage of Deverra scoparia Coss. & Durieu plant. Hence, 37 samples were gathered from nine sites in Algeria during two seasons 2016 and 2017, then exposed to a green extraction. Total phenolic (TPC), flavonoid (FC) and condensed tannins (CTC) content were estimated spectrophotometrically. The antioxidant activity was measured using five different methods, DPPH. , ABTS.+ , FRAP, CUPRAC and Fe2+ -chelating. The results have revealed considerable amounts of TPC varied from 804 to 1544 mg GAE/100 g dry matter, FC started from 187 up to 410 mg QE/100 g dry matter and CTC varied from 111 to 394 mg CE/100 g dry matter. The best IC50 values (μg/mL) of DPPH. , ABTS•+ , FRAP, CUPRAC and Fe2+ -chelating tests were 56.62, 5.41, 21.26, 52.93 and 78.10, respectively. Moreover, high correlations were found between CTC and most of the antioxidant tests. Hence, CTC are suggested to be the principal group of antioxidant activity in Deverra scoparia Coss. & Durieu extracts.

In this study, total phenolic and flavonoid contents, acute toxicity and the antinociceptive activity of Artemisia campestris and Artemisia herba-alba, individually and in combination, were investigated using multiple forms of pain in animals. Our results have been shown that plants are relatively safe without clinical signs of toxicity in animals. Thus, extracts were presented high levels in phenolic and flavonoid contents. Artemisia decoctions with 100, 200, 400 mg/kg b-w studied dose, clearly attenuate chemical and thermal noxious stimuli in writhing, formalin and hot-plate tests, and significantly reduced paw oedema in formalin test. Additionally, binary combination forms exhibited a great improvement in intensity and amplitude of antinociceptive activity in comparison with both plants used individually by a relative interference with opioid system. Our findings suggested the central and peripheral analgesic properties and confirmed the folkloric medicinal use of these plants in pain symptom treatment.

For the first time, the structure–activity relationships of thirteen synthesized flavonoids have been investigated by evaluating their ability to modulate horseradish peroxidase (HRP) catalytic activity. Indeed, a modified spectrophotometrically method was carried out and optimized using 4-methylcatechol (4-MC) as peroxidase co-substrate. The results show that these flavonoids exhibit a great capacity to inhibit peroxidase with Ki values ranged from 0.14 ± 0.01 to 65 ± 0.04 mM. Molecular docking has been achieved using Auto Dock Vina program to discuss the nature of interactions and the mechanism of inhibition. According to the docking results, all the flavonoids have shown great binding affinity to peroxidase. These molecular modeling studies suggested that pyran-4-one cycle acts as an inhibition key for peroxidase. Therefore, potent peroxidase inhibitors are flavonoids with these structural requirements: the presence of the hydroxyl (OH) group in 7, 5 and 4′ positions and the absence of the methoxy (O–CH 3 ) group. Apigenin contributed better in HRP inhibitory activity. The present study has shown that the studied flavonoids could be promising HRP inhibitors, which can help in developing new molecules to control thyroid diseases.

Saccocalyx satureioides Coss. & Dur. is an endemic Algerian plant species growing in pre-desert area. The aerial parts are commonly used in the folk medicine. The fingerprint of the aerial part of S. satureioides essential oil (EO) collected periodically at different growing stages was established by GC and GC/MS analyses. Besides, the seasonal variations of the EO components were also investigated. In order to highlight the effect of seasonal variation/variability of the EO composition on the fingerprint pattern, chemometrics methods including principal component analysis (PCA) and heatmap associated with hierarchical clustering analysis (HCA) were applied. The antioxidant activity of the EO was measured using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and ferric reducing antioxidant power (FRAP) assays. The relationship between GC fingerprint and antioxidant activity named spectrum-effect relationship was investigated by partial least squares (PLS) regression. The EO fingerprint was essentially marked by the three major oxygenated monoterpenes which were α-terpineol (34.48–42.43%), borneol (15.24–23.37%) and thymol (19.27–26.96%). Successfully, multivariate models were developed to relate the antioxidant activities responses to the EO chemical composition.

Alkaloids and phenols are potent inhibitors family for many enzymes used in many therapies. We aim to evaluate in vitro and in silico, the inhibition effect of Hispidin, Harmaline, and Harmine as pure molecules to bovine milk xanthine oxidase (BXO), Molecular docking and SAR study with GOLD was done to explain the mechanism of action related to its inhibition, ADMET parameters were checked to confirm their pharmacokinetics (PK) using preADMET 2.0 server, we classified our inhibitors by applying five drug-likeness rules, the best-ranked inhibitors were chosen based on the approved ADMET properties, drug-likeness qualifications, and the best PLPchem score generated by GOLD. The in vitro results show important inhibition activity to BXO comparing to the control with an IC50 of 39.72 ± 3.60 µM, 51.00 ± 1.0 µM, and 48.52 ± 1.76 µM for Hispidin, Harmaline, and Harmine respectively. The in silico results show that Hispidin was the best inhibitor model with approved ADMET properties and qualification in all drug-likeness rules; Harmaline was saved second-best model to BXO with suitable ADMET properties and qualified in most drug-likeness rules. Eventually, Harmine was ranked third potent inhibitor model with acceptable ADMET properties, drug-likeness rules, and PLPchem score. The tested inhibitors could be significant in drug discovery, especially in treating gout disease; therefore, drug development, including clinical trials, should be done with promising results.

Background: This paper focuses on one of the most recurrent hypotheses for the antidiabetic effect of medicinal plants by inhibiting the alpha -glucosidase Objective: In the present study aqueous and hydro -alcoholic extracts of eighteen medicinal plants, collected in the town of Laghouat in the steppe region of Algeria, and which are used in the treatment of diabetes, were examined for α-glucosidase inhibition using an in vitro model. Also total phenol content and antioxidant activity of the extracts was investigated. Methods: The extracts were prepared using distilled water and hydro -alcoholic solvent (methanol/water). The amount of total phenolics and flavonoids in the samples was determined with the Folin-Ciocalteu reagent and with aluminum chloride respectively. To identify plants with inhibitory capacities, we have studied the effects of ours extracts on the kinetics catalyzed of α-glucosidase an enzymes belonging to the class of hydrolase responsible for the digestion and we have subjected our extracts to inhibition assay to determine the inhibition percentage for each extract. Finally, we assessed the potential antioxydant of the best inhibitory plants with the DPPH test. Results: The major plants were found to inhibit enzymatic activity of α-glucosidase and the values of the IC50 constants have been determined for the best inhibitory plants common in both extraction methods (Cistus SP, Salvia officinalis and Zygophylum album), with values ranged from 0.38 to 28.95 mg/ml. The evaluation of antioxidant activity of this plants using DPPH test, shows that the phenolic extract of Salvia officinalis exhibit good antioxidant capacity (8.46 μg/ml) comparatively to the antioxidants taken as reference (BHA, Gallic acid, Rutin, Trolox and Vitamin C). Conclusion: This study is the first report on potential inhibition of these plants extracts on the digestive enzyme, α-glucosidase. The obtained results support the traditionally use of a number of the analyzed species in the in the management of diabetes.

The changes in fatty acid (FA) composition, and total tocopherol content (TTC) of leaves, roots and roots' bark of Cenaurea sp. grown on the Algerian coast were studied. Moreover, the change within the same season in antioxidant activity of lipid fractions was also measured using the DPPH free radical scavenging activity assay. Results showed quantitative and qualitative changes of the contents of saturated, monounsaturated, polyunsaturated fatty acids and TTC from January until June with different patterns for the different plant parts. The highest TTC were obtained for both roots and roots' bark, and changed differently with the month of collection. The antioxidant IC50 values also showed different pattern changes during the season for roots and roots' bark. Cluster analysis using Agglomerative Hierarchical Clustering showed differences in FA amounts for C18:2 and C18:3 between roots’ bark and both roots and leaves parts, which were totally independent of the month of collection.

Chemical biodiversity of essential oils of natural populations of Deverra scoparia growing in different regions in Algeria, and spreading from of semiarid to Saharan territories, was assessed. More than 60 compounds were identified by GC and GC-MS. Both phenylpropanoids and phathalids classes of bioactive components in leaves part were exhibiting drastic variations: (0.77–59.46%) and (0.04–28.55%), respectively. More specifically, the following bioactive components reached a very high level for this plant species: myristicin “up to 58.19%”, dill apiole “up to 25.52%” and (Z)-ligustilide “up to 27.5%”. Seven major compounds identified for the flowers part were varying from very low to very high percentages: α-pinene (2.49–42.32%), sabinene + β-pinene (1.11–30.31%), α-phellandrene (0.99–20.63%), p-cymene (0.0–44.22%), limonene (0.0–42.99%), myristicin (0.03–58.19%) and dill apiole (0.4–25.52%). Similarly, for the stems part, larges variations of both major and minor components were also registered: α-pinene (17.97–53.25%), sabinene + β-pinene (3.44–24.99%), α-phellandrene (0.75–10.32%), limonene (1.35–59.68%), terpinen-4-ol (0.29–15.85%) and spathulenol (0.46–11.29%). Agglomerative Hierarchical Cluster analysis was conducted, showing the existence of two main groups. Obtained data for volatile components in each plant part gave an insight of the existence of simultaneous clear and large biodiversity of the chemical profiles of the studied plant parts.

International audience; The antifungal potency of the essential oils of Rhanterium adpressum was evaluated against four mycotoxigenic strains of the genus Fusarium. The essential oils were obtained, separately, by hydro-distillation of the aerial parts of R. adpressum (leaves and flowers). The parts were collected during the period of bloom (3 months) for 3 years. The GC-MS analysis revealed thirty-six compounds for the essential oils, divided into four classes of chemical compounds, with variable percentages according to the month of extraction. The monoterpene hydrocarbons form the main class in these oils. On the other hand, the highest percentages of the oxygenated compounds are observed in the samples collected during the month of May. The direct contact method was used to evaluate the antifungal activity of the essential oils. The activity can be attributed to their relatively high composition of oxygenated monoterpenes. Flowers extract showed strong inhibitory activity, with very interesting concentrations of IC50 and MIC for both tests on solid and liquid medium. The effect of these oils on the production of type B trichothecenes (TCTBs) was evaluated, showing a significant inhibitory effect on TCTBs production, for both extracts (leaves and flowers). The rates of inhibition were 66-97 and 76-100% of FX, 3-ADON and 15-ADON, respectively. The inhibition of fungal biomass and the production of TCTBs depended on the used concentration of the essential oils. These results suggest that the essential oils from R. adpressum are able to control the growth of the tested strains and their subsequent production of TCTB mycotoxins.

The essential oils (EOs) of unripe galls (from male and female plants) of a total number of 52 samples of Pistacia atlantica collected from different regions in Algeria were analysed by GC/MS and GC. The yields of the extraction of the EO by hydrodistillation vary from low to high values (0.08-1.89% v/w). The results of both methods of principal component analysis and hierarchical ascendant classification revealed the presence of two different chemotypes: α-pinene chemotype and α-pinene/sabinene/terpinen-4-ol chemotype.

In the present work, we have studied the inhibitory effects of aqueous and alcoholic extracts of six Algerian medicinal plants known by their therapeutic virtues against diabetes. The total phenolic compounds content, assayed using Folin-Ciocalteu’s reagent, of the samples ranged from 0.183 mg/g to 43.088 mg/g and from 1.197 mg/g to 7.445 mg/g, expressed as gallic acid equivalent (GAE), for the, respectively, whereas the total flavonoids concentrations, detected using 2% of the aluminium chloride, ranged from 0.41 mg/g to 11.613 mg/g and from 0.0097 mg/g to 1.591 mg/g, expressed as rutin equivalents (RE), for the aqueous and methanolic extracts, respectively. The major plants were found to inhibit enzymatic activities of Aspergillus oryzae-amylase in a concentration dependent manner. The values of the inhibition constants (Ki) have been determined according to the Dixon and Lineweaver-Burk methods. The results showed that the Ki values were less than 55 ppm for the all extracts. A strong inhibition was found in the phenolic extract of Salvia officinalis with a Ki of 8 ppm.

Starch was isolated from white and red sorghum. The values of thousand kernel weight, test weight, starch and protein contents were respectively 33.05 ± 0.5 (g), 692.85 ± 0.65 (g/l), 65.05 ± 0.19% and 12.27 ± 0.18% for the white sorghum grains and 27.70 ± 0.13 (g), 736.55 ± 0.25 (g/l), 66.37 ± 0.31% and 12.59 ± 0.03% for the red sorghum grains. Three small-scale laboratory steeping procedures were used: steeping in NaOH solution, in SO 2 solution and in SO 2 solution containing lactic acid. The effect of the concentration of steeping solutions and time of steeping on starch isolate and yield were studied. The starch recovery, starch purity, moisture, amylose, protein content and particle size distribution ranged from 64.8% to 80.4%, 92.61 ± 0.54% to 99.29 ± 0.55%, 11.84% to 14.43%, 27.71 ± 0.41% to 29.88 ± 0.56%, 0.31 ± 0.01% to 0.78 ± 0.01% and 4.0 μm to 36 μm, respectively. The high grain quality traits and isolated starch properties indicated that Algerian sorghum cultivars can have many applications in nutrition and food technology.

The phenolic contents of methanolic extracts from five varieties of date palm (Phoenix dactylifera) fruits from Algeria, Deglet Nour (DN), Degla Baidha (DB), Ghars (Gh), Tamjhourt (Tam), and Tafezauine (Taf) were measured in this work. The antioxidant activities of these extracts were also evaluated. Total phenolic content ranged from 41.80 to 84.73 mg gallic acid equivalents (GAE)/100 g and the total flavonoid content varied from 7.52 to 14.10 mg rutin equivalents (RE)/100 g. The antioxidant activities of methanolic extracts were evaluated in vitro using scavenging assays of 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical, 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonate) (ABTS) radical ion (ABTS+) and potassium ferricyanide complex as reducing power assay. Effective scavenging concentration (IC50) on DPPH radical ranged from 10.83 to 21.27 mg/l, the IC50 values decreased in the order DN > Gh > Tam > DB > Taf. ABTS radical cation scavenging activity (trolox equivalent 1.66–3.35 mM), the trolox equivalent antioxidant capacity values decreased in the order of DN > Gh > DB > Tam > Taf. In the potassium ferricyanide complex assay, the antioxidant capacity of the extracts ranged between 2.06 and 4.21 mM ascorbic acid equivalents and the ascorbic acid equivalents antioxidant capacity values of the extracts decreased in the order Gh > Tam > DB > DN > Taf. These results suggest that all date varieties constitute a good source of natural antioxidants and could potentially be considered as a functional food.

International audience; Hydromethanolic extracts from 18 Algerian medicinal plants were screened for their phenolic contents and radical scavenging activities. The phenolic extract of Cleome arabica (Capparaceae) was found to be the most active one. Purification of this extract by semi-preparative high performance liquid chromatography led to the isolation and identification of new steroid derivative. The structure of the active principle is proposed as (17-(4-hydroxy-1,5-dimethylhexyl)-2,3,7-(acetyloxy) gona-1,3,5(10)-trien-15-ol). Compared to six other standard antioxidants which were ascorbic acid, alpha-tocopherol, Trolox, (+) catechin, p-coumaric acid and gallic acid, the isolated compound was found to be significantly more active in the radical scavenging assay using 2,2-diphenyl-1-picrylhydrazyl (DPPH). Similar results were obtained in the hemolysis assay. The antioxidant capacities of the methanolic extract of C. arabica and its principle compound indicate that this plant may be an important source of chemopreventive and chemotherapeutic natural products activity. (C) 2010 Elsevier Ltd. All rights reserved.

For the first time, the enzymatic inhibition activity of 13 synthetic flavonoids was assessed by quantitative structure-activity relationship (QSAR) modeling and molecular docking with the three states of the enzyme horseradish peroxidase (HRP). The results show that apigenin, quercetin, kaempferol, fisetin, tricetin, and luteolin exerted a high competitive inhibition on HRP (Ki between 0.14 and 1.74 mM) compared with other flavonoids. The QSAR model of enzymatic activity (R2 = 0.95, RMSE = 5.48) showed that Ghose-Crippen octanol-water partition coefficient (Alog P) and lowest unoccupied molecular orbital's energy (elumo ) correlated with 0.65 and 0.17, respectively, with Ki values. According to the docking results using Molegro Virtual Docker program, all the flavonoids have shown great binding affinity towards peroxidase. Apigenin has the largest MolDock score in the three states of HRP noting an increased affinity of these flavonoids between compound I and compound II by 2.26%. However, these affinities strongly decrease between compound II and compound III by 28.43% especially for luteolin whose MolDock score decreased by 74.7%. With the results of docking, the affinities of the flavonoids tested and translated by their Ki values are much more presentative of the inhibition of the first reaction states of HRP because their inhibitory effect is important.

The aim of this study was to examine the fatty acid and tocopherol composition and the antioxidant activity of the lipids fractions of two varieties of sorghum grains grown in Algeria. The results revealed that the total oil contents in the sorghum ranged from 11 to 13%. Gas chromatography analysis of the oils revealed that the dominant fatty acids found are palmitic, oleic and linoleic. The oils contain a significant amount of unsaturated fatty acids (>84%). Oils were also high in tocopherol, with a wide variation (between 174.82 and 325.33 mg/kg) but with δ-tocopherol predominating in the two oils. The lipid extracts were subjected to screening for their possible antioxidant activity by using 2,2-diphenyl-1-picrylhydrazyl, phosphomolybdenum complex and FRAP assays. In the first case, IC50 values of the extracts were 15.4 and 22.6 mg/mL in the red and in the white sorghum, respectively. In the phosphomolybdenum complex and the FRAP assays the antioxidant capacity of the extracts ranged, respectively, between 0.21–0.13 μmol/g vitamin E equivalents and 0.030–0.027 mmol/g vitamin C equivalents. In the three systems, the antioxidant capacities of vitamin E and ascorbic acid were also determined in parallel experiments.

The main focus of the present work is the analytical study of the fatty acid, triglyceride (TAG) and tocopherol composition of oil extract from the fruit of Algerian tree Argania spinosa. The four dominant fatty acids (FA) found in the oil are: oleic C18:1 (52.86%), linoleic C18:2 (25.0%), palmitic C16:0 (14.65%) and stearic C18:0 (7.06%). The distribution of FA between the sn-2 and sn-1,3 positions of TAG from the oil was also determined. Unsaturated FA showed a preference for the internal position, as generally found in vegetable oils. The TAG composition was calculated using the lipase hydrolysis. The oil was found to contain trisaturated (0.47%), disaturated (9.3%), monosaturated (43.95%) and triunsaturated (45.20%) FA. Flash chromatography with solvent of increasing polarity yielded 83.42% neutral lipids, 1.56% glycolipids and 2.09% phospholipids. The oil was characterised by a relatively high amount of tocopherols (1027.8 mg/kg). The (γ+β)-tocopherols were the major isomers, with the rest being α- and δ-tocopherols.

An endemic North African Saharan plant from of the Apiaceae family, Deverra scoparia, used locally for medicinal preparations, showed a strong inhibitory effect on porcine liver carboxylesterase. The active compound from the aerial part of the plant was purified by semi-preparative HPLC and photodiode array detection, and structurally determined by 1H, 13C NMR and mass spectroscopy methods. This compound was identified as flavone-3,4′,7-trihydroxy-3′-methoxy-7-glucoside and it was found to be a powerful competitive inhibitor of porcine liver carboxylesterase with a inhibition constant value of 16 μM. Based on the structural features of the inhibitor and the enzyme active site region, it seems that the flavonoside binds to the surface of the enzyme. The low Ki value suggests some physiological significance of such inhibitory activity, especially concerning the bio-transformation of xenobiotics.

Since recent times, there is a growing interest in the food industry and in preventive health care for the development and evaluation of natural antioxidants from medicinal plant materials. In the present work we have investigated the antioxidant potency of phenolic compounds of 11 indigenous wild plant species from the Algerian Atlas commonly used in Arab folk medicine for a wide range of conditions. The antioxidant activity of each phenolic extracts has been assessed by using the Trolox Equivalent Antioxidant Capacity (TEAC) as a chemical test, and in a dynamic way by a biological assay based on whole blood resistance to free radical aggression. Of the 11 tested plants, 2 showed prominent antioxidant activity: Anthemis arvensis and Artemisia campestris. These plants had a very high level of Trolox equivalents and induced a strong delay of free radical-induced red blood cells hemolysis compared to antioxidant references. Artemisia campestris was the best inhibitor, its effect was far stronger than that of caffeic acid and was more than three times as high as ascorbic acid and two times higher than α-tocopherol efficiency. HPLC analysis showed a good correlation between the antioxidant activity and hydroxycinnamic derivatives. These preliminary results on the in vitro protection of blood against oxidative stress emphasized the benefit of the phenolic compounds of these medicinal plants. Our results enable us to proceed towards more detailed chemical and pharmacological understanding of these plant materials and show the interest of natural antioxidant in medicinal plants for the prevention of much free radical-mediated pathology.

Flavonol compounds of three Mediterranean plants from the Algerian Atlas used traditionally in Arab folk medicine, Arenaria serpyllifolia, Rhamnus alaternus and Thapsia garganica, were found to inhibit the enzymatic activities of both rat intestine and purified porcine liver carboxylesterase in a concentration-dependent manner. Results indicate that the flavonol compounds from the aerial part of these plants lead to the inactivation of the CE pI = 5.1 with Ki of micromolar range. These results encourage us to perform further biological investigation.

Les principales constantes chimiques d’huile de fruit de pistachier de l’Atlas ont ete determinees par des methodes chimiques simples normalisees. La composition en acides gras totaux et libres de cette huile a ete determinee par chromatographie en phase gazeuse. Les acide gras libres ont ete obtenus par leur fixation sur resine. L’analyse des esters methyliques des acides gras effectuee sur une colonne capillaire impregnee de DB. Wax de 60 metres de longueur, montre chez cette espece une predominance des acides gras oleique, linoleique et palmitique. Les acides gras libres et totaux sont de meme nature.

Carboxylesterases (CE), expressed at high levels in human liver and intestine, are thought to detoxify xenobiotics. The goal of this study was to study the effect of phenolic compounds from several plants from the Algerian Atlas used traditionally in Arab folk medicine on the enzymatic activity of porcine liver carboxylesterase. The plants have shown a potent inhibition of carboxylesterase (CE) enzymatic activity in a concentration-dependent manner. Results indicate that the Phenolic extracts from these plants lead to the inactivation of the CE pI = 5.1 with K(i) values in micromolar range (1.4-38 microM). These results encourage further biological investigation and identification the inhibitors responsible for this activity.

The inhibitory effect of phenolic extracts of several plants from the Algerian Atlas used traditionally in Arab folk medicine was tested on the porcine kidney acylase I activity. An endemic Saharan plant of the Brassicaceae family, Oudneya africana , has shown a strong inhibitory effect. The active compound was isolated and purified by semi-preparative HPLC and HPLC–photodiode array detection, and structurally determined using 1 H, 13 C NMR and mass spectroscopy methods. Results indicate that maackiain 3- O -(6′- O -malonyl-β- d -glucopyranoside) showed a competitive inhibition of porcine kidney acylase I with a K i value of 11 μM. The malonyl moiety appeared to be a structural key element for the inhibitory activity. This observation indicates interesting structure–activity relationships for the inhibitory action of this compound on the acylase I and its potential role in the toxicity of haloalkene-derived mercapturates and that of the enzyme in detoxication and bioactivation.