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Aim and Objective: Synthetic antioxidants and anti-inflammatories are widely used by the food and pharmaceutical industries. Like any synthetic product, these are toxic and represent a significant health risk. The objective of this study was to determine the chemical composition of Anacyclus valentinus essential oil and its oxygenated fraction, as well as their in-vitro antioxidant and anti-inflammatory properties., Methods: The essential oil was hydrodistilled using a Clevenger-type device and the oxygenated fraction was obtained by column chromatography using diethyl ether. The essential oil and its oxygenated fraction were analysed by GC and GC/MS. The antioxidant activities were performed using three different methods Radical scavenging activity (DPPH), β-carotene bleaching test, and the Ferric-Reducing Antioxidant Power (FRAP), using BHT as a positive control. The activity of antiinflammatory of essential oil and its oxygenated fraction was assessed by the protein denaturation method using the diclofenac sodium as a positive control., Results: The essential oil of Anacyclus valentinus was represented mainly by oxygenated sesquiterpene compounds (37.7%), hydrocarbon sesquiterpenes (14.7%), oxygenated monoterpenes (18.4%) and non-terpenic compounds (15.6%). The oxygenated fraction was composed mainly of oxygenated sesquiterpenes (40.6%), oxygenated monoterpenes (38.5%), and non-terpene compounds (19.4%). Essential oil and oxygenated fraction showed antioxidant activity. The most potent activity was observed by the oxygenated fraction in the DPPH (IC 50 = 8.2 mL/L) and β - carotene bleaching (IC 50 = 5.6 mL/L) tests. While the essential oil of A. valentinus showed very good anti-inflammatory activity with an IC 50 of 0.3 g/L higher than that of diclofenac (IC 50 = 0.53 g/L)., Conclusion: The results showed that the essential oil and the oxygenated fraction of A. valentinus are rich in sesquiterpene compounds and possess interesting antioxidant and anti-inflammatory properties. However, other studies are necessary to be able to offer these extracts to the pharmaceutical and food industries., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

The excess free radicals not neutralized by the antioxidant defenses damage the essential macromolecules of our cells, causing abnormalities in the expression of genes and membrane receptors, cell proliferation or death, immune disorders, mutagenesis, deposits of proteins or lipofuschin in tissues. The first objective of this study was to elucidate the composition of the essential oil of the aerial and root part of Centaurea sulphurea during beginning of the vegetative cycle (March), beginning of the flowering stage (April) and full bloom (May/June) using GC/FID and GC/MS. The second aim was to describe the antioxidant activity using three methods (2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric-reducing antioxidant power (FRAP), β-carotene bleaching assay) and bioinformatical study of ct DNA sequence and three endogenous enzymes inhibition. The essential oils obtained from the root during the full bloom period consisted mainly of caryophyllene oxide, aplotaxene and (Z)-phytol. While, the aerial parts were dominated by caryophyllene oxide, verridiflorol and humulene epoxide II. The results showed that essential oil presented an excellent antioxidant activity with IC 50 values of 2.06 g/L and 1.29 g/L, for aerial and root parts, compared to butylated hydroxyltoluene (BHT) and Ethylenediaminetetraacetic acid (EDTA) controls and the nicotinamide adenine dinucleotide phosphate (NADPH) co-crystallized inhibitor. The results of the molecular docking revealed that (Z)-phytol (Ligand 39) has an affinity to interact with ctDNA sequence, and three targets Endogenous enzymes. The molecular dynamics study was conducted for the best inhibitors (Z)-phytol. A few key residues were identified at the binding site of receptors. The in-silico assessment of the ADME properties and BOILED-Egg plot reveals that compound (Z)-phytol (L39) is permeable to the blood brain barrier and have high lipophilicity and high coefficient of skin permeability in the intestines with good bioavailability. The ADMET analysis also showed that this oxygenated diterpene is safer to replace the synthetic drugs with side effects. Further testing is needed to assess its effectiveness in reducing oxidative stress for use in the pharmaceutical industry.Communicated by Ramaswamy H. Sarma.

Many pro-angiogenic factors acting directly or indirectly on the proliferation and differentiation of endothelial cells have been highlighted, in particular: VEGF ('Vascular Endothelial Growth Factor'), FGF ('Fibroblast Growth Factor'), PDGF ('Platelet-Derived Growth Factor'), VEGF exerts its pro-angiogenic activity by binding to the surface of receptors with tyrosine kinase activity (VEGFR). The first objective of this study was to elucidate the composition of the essential oil of the roots of Scolymus grandifloras Desf. The second aim was to describe the intra-species variation in essential oil composition in natural populations of 21 oil samples from different Algerian locations using statistical analysis and bioinformatical study of VEGFR inhibition. The essential oil isolated from the root parts, was a really source of Davanoide compounds. The results of the docking simulation revealed that davanone (Ligand 13) has an affinity to interact with cDNA, VEGF and its receptors. The ADMET properties and BOILED-Egg plot validate the compound 13 pass the brain barrier and have high absorption in the intestines with good bioavailability. The findings of this study contribute to the pharmacological knowledge and the therapeutic efficacy of davanone and can initiate the development of new anti-angiogenic drugs. Results showed that essential oil of Scolymus grandiflorus presented a large level of percentage of davanone, davanol D1 and 2-hydroxy davanone. These components may be a new source of nontoxic anticancer agents. However, an additional in vitro and/or in vivo experimental study should make it possible to verify the theoretical results obtained in silico .Communicated by Ramaswamy H. Sarma.

Angiogenes is therefore appears to be a complex phenomenon, finely regulated by various activators (pro-angiogenic factors) and inhibitors (anti-angiogenic factors). Among the pro-angiogenic factors, VEGF (Vascular Endothelial Growth Factor) seems to be one of the main players in tumor angiogenesis. It exerts its pro-angiogenic activity by attaching to the surface of receptors with tyrosine kinase activity (VEGFR). The aim of this research was the bioinformatical study of VEGFR inhibition by essential oils of the Inula viscosa.Analyses of essential oils obtained by hydrodistillation from the aerial parts of the plant were performed using GC and GC/MS analysis. We used molecular modeling approaches as molecular mechanics to theoretical investigation VEGF receptors by natural inhibitors.Nineteen compounds were identified, constituting 90.1-98.8% of the total essential oils. The main components of the plants were (E)-nerolidol (15.5-20.2 %), caryophyllene oxide (10.6-18.1%), (E)-Z-farnesyl acetone (13.2-25.1%) and (E)-β-farnesene (1.5-5.6%). Essential oil samples were clustered into two groups according to their chemical compositions. The molecular dynamics study was conducted for the best inhibitors. A few key residues were identified at the binding site of VEGFR. The Pharmacokinetics was justified by means of lipophilicity and high coefficient of skin permeability. The in silico evaluation of ADME revealed that L19 has high absorption. The essential oil of I. viscosa presents a significant variability. This study revealed that (E)-Z-Farnesylacetone is a functional inhibitor of VEGF activities and subsequently can be the best inhibitors candidate to be scrutinized in vivo and in vitro .Communicated by Ramaswamy H. Sarma.

Aim and Objective: The excessive consumption of alcohol and the installation of dependence is, in most cases, facilitated by favorable psychological factors that trigger and maintain the behavior of consumers. Examples more frequently encountered in individuals having difficulty with alcohol are, in particular: one or more anxiety disorders, deficits in the capacities to manage stress and anxiety. The main objective of this work was to study in vivo the anti-addiction effect and hepatotoxicity of tow baclofen analogues complexed with β-Cyclodextrin (βCD) on an alcohol-dependent rat model., Materials and Methods: The synthesis of two analogues, ABF1 and ABF2, close to baclofen was reported. The structural determination of the two compounds was confirmed by NMR and IR analysis. The complexation of analogues with β-Cyclodextrin (βCD) was performed in water at room temperature (25 °C). The interactions of ABF with β-Cyclodextrin, and the stability constant (Ka) of the inclusion complex formed between them were investigated by using UV-visible spectroscopy. The biological effects of baclofen and the two analogues on alcohol dependence were studied in wistar rats. The anti-addiction effect of the analogues was tested by measuring the alcohol intake and the variation of the animal behaviour. The toxicity of the compounds was also analysed on liver injury markers., Results: The amino-3-phenylbutanoic acid (ABF1) and 3,4,5-trihydroxy-N-(methyl-2-acetate) benzamide (ABF2) were synthesized. The complexation of both analogues of baclofen (BF) with β-cyclodextrin (βCD) (ABF- βCD) was realized and confirmed by the stability constant of the inclusion complex (Ka) and Job's method. The evaluation of anti-addiction activity in vivo showed that ABF1-βCD inhibits the consumption of alcohol at doses equivalent to those of baclofen. Both baclofen analogues have shown an anxiolytic effect. Regarding the toxicity of the two compounds, our results showed that ABF1-βCD has less toxic effect than baclofen; it reduces the activity of ALT and AST enzymes. Histologically, ABF1-βCD has no effect on the liver structure and has a protective effect against lesions alcohol-induced liver disease., Conclusion: Therefore, it can be suggested that ABF1 analogue combined with β-Cyclodextrin can be used as a treatment for alcohol dependence. Further clinical works are needed to confirm its effectiveness., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

The accumulation of free radicals in the body develops chronic and degenerative diseases such as cancer, autoimmune diseases, rheumatoid arthritis, cardiovascular and neurodegenerative diseases. The first aim of this work was to study the chemical composition of Inula Montana essential oil using GC-FID and GC/MS analysis and the antioxidant activities using radical scavenging (DPPH) and the Ferric -Reducing Antioxidant Power (FRAP) tests. The second aim was to describe the assess the antioxidant activity and computational study of Superoxide Dismutase (SODs) and ctDNA inhibition. Sixty-nine compounds were identified in the essential oil of the aerial part of Inula montana . Shyobunol and α-Cadinol were the major compounds in the essential oil. The antioxidant power of the essential oil showed an important antioxidant effect compared to ascorbic acid and the methionine co-crystallized inhibitor. The results of the docking simulation revealed that E, E-Farnesyl acetate has an affinity to interact with binding models and the antioxidant activities of the ctDNA sequence and Superoxide Dismutase target. The penetration through the Blood-Brain Barrier came out to be best for E, E-Farnesyl acetate and E-Nerolidolacetate and was significantly higher than the control molecule and Lref. Finally, the application of ADMET filters gives us positive information on the compound E, E-Farnesyl acetate, which appears as a new inhibitor potentially more active towards ctDNA and SODs target. The active compounds, E,E-Farnesyl acetate can be used as templates for further development of more potent antioxidative agents.Communicated by Ramaswamy H. Sarma.

Aim and Objective: Nowadays, developing effective antibiotics for bacterial control has become difficult due to increased resistance to the available medicines in the market. Essential oils possess interesting biological properties as some of their components have very powerful antiviral and antibacterial properties. Carthamus caeruleus is a plant that has antibacterial and antioxidant activity due to the presence of an acetylenic compound, Carlina oxide. The aim of this work was to provide, for the first time, the chemical modifications to the structure of Carlina oxide and the insilico study of these analogues., Materials and Methods: The essential oil of Carthamus caeruleus was extracted by steam distillation in a Clevenger-type apparatus. Carlina oxide component was separated by column chromatography. Five new analogues were synthetized and identified by spectroscopic analyses (RMN, IR and SM). Molecular docking simulation study was performed using Molecular Operating Environment software (MOE) on three enzymes of bacterial origin (Streptococcus pyogenesis and Enterococcus faecalis)., Results: Five new compounds derived from Carlina oxide were synthesized (IM8-IM12), and their structures were characterized by infrared (IR), 1H and 13C nuclear magnetic resonance (NMR). The new synthesized compounds were evaluated as mSpeB, DHFR from Enterococcus faecalis and DNA gyrase inhibitors by a docking analysis using MOE. These results show interesting ligand interactions with the three enzymes, and the best result was attributed to the complexes formed with IM9, which had the lowest score., Conclusion: In fact, these new compounds could lead to powerful approaches for the research and development of new antibiotics., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Background: Tomato is considered a model plant in genetics and is one of the most economically important crops of all those that exist in the world. Several species of fungi are reported on tomato fruit, causing damage both during cultivation and after harvest. Some of the appropriate actions that could be initiated to resolve the problem are to develop and search for new antimicrobial substances isolated from the bioactive natural products, such as essential oils., Aims and Objective: The aim of this work was to determine the chemical composition of essential oils of Ammoides verticillata, Allium sativum and Curcuma longa, to evaluate their in-vitro antifungal activities and in-vivo antifungal effect of essential oils to prevent the diseases caused by tomato., Materials and Methods: The essential oils obtained from aerial parts of plants were analyzed by GC/MS and tested for their antifungal activities against Penicillium expansum, Fusarium solani, Rhizopus stolonifer and Alternaria alternata using the radial growth technique method. The effectiveness in-vivo of the association between Allium sativum and Curcuma longa essential oils was also investigated on tomatoes inoculated by fungi., Results: The essential oil from A. verticilata was mainly composed of phenolic compounds (54.4%), the A. sativum oil was mainly composed of sulfur compounds (91.5%) and C. longa oil was dominated by oxygenated monoterpenes (82.0%). The obtained results in-vitro antifungal revealed that individual essential oils of A. verticillata and A. sativum were more active than the essential oil of C. longa against all screened microorganisms. An important antifungal effect of A. sativum and C. longa essential oils blend was obtained against P. expansum (100%), F. solani (95.2%), R. stolonifer (95.1%) and A. alternata (48.5%). Furthermore, A. sativum and C. longa essential oils blends have demonstrated promising in-vivo antifungal activity to control infection of tomato against P. expansum and R. stolonifer., Conclusion: A. sativum and C. longa essential oil blends can be used as a natural food preservative and alternative to chemical fungicides to protect stored tomato against many phytopathogens., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Chemical composition and antifungal activity of essential oils of Algerian Mentha species were studied. Chemical compositions of different Mentha species oils (Mentha rotundifolia, M. spicata, M. pulegium, and M. piperita) were investigated by capillary GC and GC/MS, and their antifungal activities were evaluated by means of paper disc diffusion method and minimum inhibitory concentration (MIC) assays. In total, 98 components from all Mentha species were identified. All oils were rich in monoterpene-oxygenated components. In addition, we reported fumigant antifungal activity of Algerian Mentha essential oils against four fungi: Botrytis cinerea, Penicillium expansum, Monilinia laxa, and M. fructigena. All oils demonstrated very good inhibition especially against B. cinerea, M. laxa, and M. fructigena. Both Monilinia fungi were extremely sensitive to all Algerian Mentha oils, which suggests that Mentha essential oils have the potential to be used as bio-pesticides to protect fruit trees, such as apple and pear trees, and provides an alternative to chemical pesticides.

Thymus capitatus and Tetraclinis articulata essential oils as well their major components (carvacrol and α-pinene) were evaluated for their antifungal and insecticidal activities. Both oils showed good in vitro antifungal activity against Fusarium oxysporum, Aspergillus niger, Penicillium sp., Alternaria alternata, and Botrytis cinerea, the fungi causing tomato rot. In vivo results indicate the efficacies of both essential oils and carvacrol of reduce postharvest fungal pathogens, such as B. cinerea and Al. alternata that are responsible of black and gray rot of tomato fruit. Disease incidence of Al. alternata and B. cinerea decreased on average from 55% to 80% with essential oil of Th. capitatus and pure carcvacrol, while Te. articulata essential oil exhibited inhibition of fungal growth of 55% and 25% against Al. alternata and B. cinerea, respectively, with concentration of 0.4 μl/l air. The insecticidal activity of Th. capitatus and Te. articulata essential oils exhibited also a good insecticidal activity. At the concentration of 0.2 μl/ml air, the oils caused mortality over 80% for all larval stages of Tuta absoluta and 100% mortality for the first-instar after 1.5 h only of exposure. α-Pinene presented lower insecticidal and antifungal activities compared to essential oils of Th. capitatus, Te. articulata and pure carvacrol. Thus, these essential oils can be used as a potential source to develop control agents to manage some of the main pests and fungal diseases of tomato crops., (© 2017 Wiley-VHCA AG, Zurich, Switzerland.)

The chemical compositions of 20 Algerian Daucus gracilis essential oils were investigated using GC-FID, GC/MS, and NMR analyses. Altogether, 47 compounds were identified, accounting for 90 - 99% of the total oil compositions. The main components were linalool (18; 12.5 - 22.6%), 2-methylbutyl 2-methylbutyrate (20; 9.2 - 20.2%), 2-methylbutyl isobutyrate (10; 4.2 - 12.2%), ammimajane (47; 2.6 - 37.1%), (E)-β-ocimene (15; 0.2 - 12.8%) and 3-methylbutyl isovalerate (19; 3.3 - 9.6%). The chemical composition of the essential oils obtained from separate organs was also studied. GC and GC/MS analysis of D. gracilis leaves and flowers allowed identifying 47 compounds, amounting to 92.3% and 94.1% of total oil composition, respectively. GC and GC/MS analysis of D. gracilis leaf and flower oils allowed identifying linalool (22.7%), 2-methylbutyl 2-methylbutyrate (18.9%), 2-methylbutyl isovalerate (13.6%), ammimajane (10.4%), 3-methylbutyl isovalerate (10.3%), (E)-β-ocimene (8.4%) and isopentyl 2-methylbutyrate (8.1%) as main components. The chemical variability of the Algerian oil samples was studied using statistical analysis, which allowed the discrimination of three main Groups. A direct correlation between the altitudes, nature of soils and the chemical compositions of the D. gracilis essential oils was evidenced., (© 2017 Wiley-VHCA AG, Zurich, Switzerland.)

The chemical composition of the essential oils and hydrosol extract from aerial parts of Calendula arvensis L. was investigated using GC-FID and GC/MS. Intra-species variations of the chemical compositions of essential oils from 18 Algerian sample locations were investigated using statistical analysis. Chemical analysis allowed the identification of 53 compounds amounting to 92.3 - 98.5% with yields varied of 0.09 - 0.36% and the main compounds were zingiberenol 1 (8.7 - 29.8%), eremoligenol (4.2 - 12.5%), β-curcumene (2.1 - 12.5%), zingiberenol 2 (4.6 - 19.8%) and (E,Z)-farnesol (3.5 - 23.4%). The study of the chemical variability of essential oils allowed the discrimination of two main clusters confirming that there is a relation between the essential oil compositions and the harvest locations. Different concentrations of essential oil and hydrosol extract were prepared and their antioxidant activity were assessed using three methods (2,2-diphenyl-1-picrylhydrazyl, Ferric-Reducing Antioxidant Power Assay and β-carotene). The results showed that hydrosol extract presented an interesting antioxidant activity. The in vitro antifungal activity of hydrosol extract produced the best antifungal inhibition against Penicillium expansum and Aspergillus niger, while, essential oil was inhibitory at relatively higher concentrations. Results showed that the treatments of pear fruits with essential oil and hydrosol extract presented a very interesting protective activity on disease severity of pears caused by P. expansum., (© 2017 Wiley-VHCA AG, Zurich, Switzerland.)