RESUMO
Polyphenolic compounds are now widely studied using computational chemistry approaches, the most popular of which is Density Functional Theory. To ease this process, it is critical to identify the optimal level of theory in terms of both accuracy and resource usage-a challenge we tackle in this study. Eleven DFT functionals with varied Hartree-Fock exchange values, both global and range-separated hybrids, were combined with 14 differently augmented basis sets to calculate the reactivity indices of caffeic acid, a phenolic acid representative, and compare them to experimental data or a high-level of theory outcome. Aside from the main course, a validation of the widely used Janak's theorem in the establishment of vertical ionization potential and vertical electron affinity was evaluated. To investigate what influences the values of the properties under consideration, linear regression models were developed and thoroughly discussed. The results were utilized to compute the scores, which let us determine the best and worst combinations and make broad suggestions on the final option. The study demonstrates that M06-2X/6-311G(d,p) is the best fit for such research, and, curiously, it is not necessarily essential to include a diffuse function to produce satisfactory results.
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Flavonoids, phenolic acids, and anthocyanidins are widely studied polyphenolics owing to their antiradical activity. Recently, beetroot dyes have drawn an attention as possible radical scavengers, but scant information can be found on this topic. In this study selected compounds were investigated using computational chemistry methods. Implicit water at physiological pH was chosen as the environment of interest. Betalains' dissociation process and electronic structure were examined, as well as the reactivity in six pathways against some common radicals, such as hydroxyl, hydroperoxide, superoxide, and nitric oxide. The study showed that all carboxyl groups are dissociated in the given conditions. The dissociation process impacts the electronic structure, which has consequences for the overall activity. Highly stabilized conjugated structures favor the electron-accepting type of scavenging reactions, primarily by a radical adduct formation mechanism. Betanidin and indicaxanthin were found to be the most promising of the compounds studied. Nevertheless, the study established the role of betalains as powerful antiradical dietary agents.
Assuntos
Beta vulgaris/química , Betalaínas/farmacologia , Sequestradores de Radicais Livres/farmacologia , Extratos Vegetais/farmacologia , Raízes de Plantas/química , Betalaínas/química , Teoria da Densidade Funcional , Sequestradores de Radicais Livres/química , Hidrogênio/química , Modelos Moleculares , Conformação Molecular , Estrutura Molecular , Extratos Vegetais/químicaRESUMO
Helicobacter pylori is one of the most frequent human pathogens and a leading etiological agent of various gastric diseases. As stringent response, coordinated by a SpoT protein, seems to be crucial for the survivability of H. pylori, the main goal of this article was to use in silico computational studies to find phytochemical compounds capable of binding to the active site of SpoT from H. pylori and confirm the ability of the most active candidates to interfere with the virulence of this bacterium through in vitro experiments. From 791 natural substances submitted for the virtual screening procedure, 10 were chosen and followed for further in vitro examinations. Among these, dioscin showed the most interesting parameters (the lowest MIC, the highest anti-biofilm activity in static conditions, and a relatively low stimulation of morphological transition into coccoids). Therefore, in the last part, we extended the research with a number of further experiments and observed the ability of dioscin to significantly reduce the formation of H. pylori biofilm under Bioflux-generated flow conditions and its capacity for additive enhancement of the antibacterial activity of all three commonly used antibiotics (clarithromycin, metronidazole, and levofloxacin). Based on these results, we suggest that dioscin may be an interesting candidate for new therapies targeting H. pylori survivability and virulence.
Assuntos
Antibacterianos/química , Produtos Biológicos/química , Diosgenina/análogos & derivados , Infecções por Helicobacter/tratamento farmacológico , Helicobacter pylori/efeitos dos fármacos , Pirofosfatases/química , Virulência/efeitos dos fármacos , Sequência de Aminoácidos , Antibacterianos/farmacologia , Biofilmes/efeitos dos fármacos , Domínio Catalítico , Claritromicina/farmacologia , Diosgenina/química , Diosgenina/farmacologia , Avaliação Pré-Clínica de Medicamentos , Humanos , Levofloxacino/farmacologia , Metronidazol/farmacologia , Testes de Sensibilidade Microbiana , Simulação de Acoplamento Molecular , Ligação Proteica , Conformação ProteicaRESUMO
Phenolic acids are naturally occurring compounds that are known for their antioxidant and antiradical activity. We present experimental and theoretical studies on the antioxidant potential of the set of 22 phenolic acids with different models of hydroxylation and methoxylation of aromatic rings. Ferric reducing antioxidant power assay was used to evaluate this property. 2,3-dihydroxybenzoic acid was found to be the strongest antioxidant, while mono hydroxylated and methoxylated structures had the lowest activities. A comprehensive structure-activity investigation with density functional theory methods elucidated the influence of compounds topology, resonance stabilization, and intramolecular hydrogen bonding on the exhibited activity. The key factor was found to be a presence of two or more hydroxyl groups being located in ortho or para position to each other. Finally, the quantitative structure-activity relationship approach was used to build a multiple linear regression model describing the dependence of antioxidant activity on structure of compounds, using features exclusively related to their topology. Coefficients of determination for training set and for the test set equaled 0.9918 and 0.9993 respectively, and Q2 value for leave-one-out was 0.9716. In addition, the presented model was used to predict activities of phenolic acids that haven't been tested here experimentally.
Assuntos
Antioxidantes/química , Hidroxibenzoatos/química , Ferro/química , Oxirredução , Relação Quantitativa Estrutura-AtividadeRESUMO
In this work, we studied similarities and differences between 70% ethanol in water extract (70EE) and essential oils (EOs) obtained from propolis, black poplars (Populus nigra L.) and aspens (P. tremula L.) to ascertain which of these is a better indicator of the plant species used by bees to collect propolis precursors. Composition of 70EE was analyzed by UPLC-PDA-MS, while GC-MS was used to research the EOs. Principal component analyses (PCA) and calculations of Spearman's coefficient rank were used for statistical analysis. Statistical analysis exhibited correlation between chemical compositions of propolis and Populus buds' 70EE. In the case of EOs, results were less clear. Compositions of black poplars, aspens EOs and propolises have shown more variability than 70EE. Different factors such as higher instability of EOs compared to 70EE, different degradation pattern of benzyl esters to benzoic acid, differences in plant metabolism and bees' preferences may be responsible for these phenomena. Our research has therefore shown that 70EE of propolis reflected the composition of P. nigra or complex aspenâ»black poplar origin.
Assuntos
Extração Líquido-Líquido/métodos , Óleos Voláteis/isolamento & purificação , Polifenóis/isolamento & purificação , Populus/química , Própole/química , Animais , Abelhas/fisiologia , Derivados de Benzeno/química , Derivados de Benzeno/isolamento & purificação , Ácido Benzoico/química , Ácido Benzoico/isolamento & purificação , Etanol/química , Cromatografia Gasosa-Espectrometria de Massas , Óleos Voláteis/química , Polônia , Polifenóis/química , Análise de Componente Principal , Solventes/química , Água/químicaRESUMO
Honey is a natural product consisting of multiple components which determine its dietary and medicinal properties. In this work there were studied methanol fractions obtained from seven honeys from Lower Silesia (Poland) collected in different seasons of three successive years. Melissopalynologic studies revealed that two of them were polyfloral, and five were classified as monofloral (two buckwheat and three rapes). The amount of phenolic compounds in honeys varied from 0.09 to 0.38 mg per g of honey. Honeys harvested in 2010 were the richest in phenolic compounds and especially rich was buckwheat honey, comparing to 2011- 2012. Determination of antioxidant potential with the DPPH radical revealed that the strongest antiradical activity was exhibited by extracts obtained from polyfloral (1.22 TAU(515/mg)) and buckwheat (1.06 TAU(515lmg)) honeys, while the highest number of antiradical units was observed for rape honey (3.64 TAU(515/g)). Polyphenolic fractions exhibited various bactericidal activities against Klebsiella pneumoniae and Staphylococcus aureus and weak or no activity was observed against Pseudomonas aeruginosa.
Assuntos
Anti-Infecciosos/farmacologia , Sequestradores de Radicais Livres/farmacologia , Mel , Fenóis/farmacologia , Anti-Infecciosos/química , Anti-Infecciosos/isolamento & purificação , Compostos de Bifenilo/química , Fracionamento Químico , Sequestradores de Radicais Livres/química , Sequestradores de Radicais Livres/isolamento & purificação , Klebsiella pneumoniae/efeitos dos fármacos , Klebsiella pneumoniae/crescimento & desenvolvimento , Metanol/química , Testes de Sensibilidade Microbiana , Fenóis/química , Fenóis/isolamento & purificação , Picratos/química , Polônia , Estações do Ano , Solventes/química , Staphylococcus aureus/efeitos dos fármacos , Staphylococcus aureus/crescimento & desenvolvimentoRESUMO
The paper discusses the concept of a proprietary decision-making model that allows for determining whether the planned development in areas not protected by flood embankments and at risk of flooding can be shaped in a safe manner. The model was used to evaluate the possibility of shaping the development in flood-risk areas on the example of one of the types of Oleder villages - a dispersed village located in the floodplains of the Warta River (western Poland). So far, there has been no comprehensive evaluation method supporting proper spatial planning for flood-risk areas. The use of multi-criteria analysis methods enabled to specify the key criteria of this evaluation, which form the basis of the decision-making support system. Additionally, the elaborated method enables to determine whether the localities under study can retain their current functional nature and if there is a potential for further spatial development based on the characteristics of an Oleder village. The presented methodology can be easily adapted to other cultural areas located in countries with different levels of development, traditions, landscape or climate.
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INTRODUCTION: Phenols are the most abundant compounds in nature. They are strong antioxidants. Too high level of free radicals leads to cell and tissue damage, which may cause asthma, Alzheimer disease, cancers, etc. Taking phenolics with the diet as supplements or natural medicines is important for homeostasis of the organism. MATERIALS AND METHODS: The ten most popular water soluble phenols were chosen for the experiment to investigate their antioxidant properties using ABTS radical scavenging capacity assay and ferric reducing antioxidant potential (FRAP) assay. RESULTS AND DISCUSSION: Antioxidant properties of selected phenols in the ABTS test expressed as IC50 ranged from 4.332 µM to 852.713 µM (for gallic acid and 4- hydroxyphenylacetic acid respectively). Antioxidant properties in the FRAP test are expressed as µmol Fe2+/ml. All examined phenols reduced ferric ions at concentration 1.00 x 10-3 mg/ml. Both methods are very useful for determination of antioxidant capacity of water soluble phenols.
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Antioxidantes/farmacologia , Suplementos Nutricionais , Homeostase/efeitos dos fármacos , Fenóis/farmacologia , Radicais Livres , Ácido Gálico/farmacologia , Homeostase/fisiologia , Humanos , Concentração Inibidora 50 , Oxirredução , Fenilacetatos/farmacologiaRESUMO
Density functional theory was used to examine the antioxidant activity of apigenin. All protonated species that are present in a non-negligible population at physiological pH were considered in the study. The ability to scavenge the hydroperoxide radical was evaluated in lipid and aqueous environments. The capacity to halt the Fenton reaction by chelating Fe(III) and Cu(II) ions was also investigated, as was the ability to inhibit xanthine oxidase. The results indicate that these activities may be particularly important in describing the beneficial effects of apigenin, especially because of its lower anti-â¢OOH potential than Trolox or vitamin C. The findings underscore the significant role of dianion in the antiradical and chelating properties, despite its presence in much lower molar fractions than other ions.
Assuntos
Apigenina , Compostos Férricos , Apigenina/farmacologia , Estrutura Molecular , Antioxidantes/farmacologia , Antioxidantes/química , Quelantes/farmacologia , Quelantes/químicaRESUMO
Polyphenols are the most widely intake exogenous antioxidants. Their properties prevent the accumulation of radicals in the body and the development of oxidative stress, a recognized trigger for some diseases and a manifestation of others. Nonetheless, apart from their beneficial effects, polyphenols might also exhibit prooxidant potential, often observed as the oxidation of transition state metals, resulting in amplified radical production. DFT studies at the B3LYP/6-311++G(d,p) level of theory were conducted on nine common polyphenolic compounds to assess both activities in physiologically relevant media. It has been found that there is a fine line between antioxidant and prooxidant character, and increasing pH values promote the occurrence of the latter. Anthocyanidins proved to be the most potent radical scavengers, particularly under slightly alkaline conditions, followed by flavonoids and phenolic acids last. Antiradical activity is better in a polar solvent than in apolar one, due to the possibility of dissociation.
Assuntos
Antioxidantes , Polifenóis , Polifenóis/química , Espécies Reativas de Oxigênio , Solventes , Antioxidantes/química , Flavonoides/química , Concentração de Íons de Hidrogênio , Sequestradores de Radicais Livres/químicaRESUMO
INTRODUCTION: Free radicals and reactive oxygen species are compounds usually present in healthy organisms as natural products of many metabolic pathways, and they are important in cell signaling and homeostasis. As a source of reactive oxygen species one can mention phagocytic cells and enzymes such as xanthine oxidase. Sometimes the level of reactive oxygen species strongly increases. This may lead to damage of very important cell structures such as nucleic acids, proteins or lipids. In this situation one should provide the organism with powerful antioxidants as a medicine or in the diet. A rich source of strong antioxidants such as phenolic compounds is plant raw materials, which are the subject of our study. MATERIAL/METHODS: Antiradical potential of extracts was measured with DPPH radical (2,2-diphenyl-1-picrylhydrazyl) and was expressed as the number of units per mg of extracts (TAU(515/mg)) and per g of raw material (TAU(515/g)). The amount of phenolic compounds was determined colorimetrically using Folin-Ciocalteu phenol reagent (3H2O ⢠P2O5 ⢠13WO3 ⢠5MoO3 ⢠10H2O). RESULTS: The strongest antiradical activity was noted for extracts obtained from Cinnamomi cortex; the number of antiradical units per mg of extract (TAU(515/mg)) was 10.31±1.052. The lowest antiradical features were exhibited by extract from Zingiberis rhizoma (0.28±0.174) and extract from Cichorii radix (0.38±0.669). The highest amount of phenolic compounds was measured for extracts from Bistortae rhizoma, with a value (in percentage) of 78.6±13.5. The correlation coefficient between the number of antiradical units in extracts and amount of phenolic compounds in these extracts was 0.7273. When the number of antiradical units was calculated per g of raw material (TAU(515/g)) the strongest antiradical properties were noted for Bistortae rhizoma (1406±274.9), the weakest for Cichorii radix (122±158.3).
Assuntos
Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/farmacologia , Sequestradores de Radicais Livres/química , Sequestradores de Radicais Livres/farmacologia , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Compostos de Bifenilo/análise , Cichorium intybus/química , Cinnamomum zeylanicum , Curcuma/química , Radicais Livres , Modelos Químicos , Fenóis/análise , Picratos/análise , Casca de Planta/química , Raízes de Plantas/química , Polygonum/química , Espécies Reativas de Oxigênio , Rizoma/química , Taninos/análise , Taninos/farmacologia , Zingiberales/químicaRESUMO
There is a noticeable interest in alternative therapies where the outcome is the eradication of the Gram-negative bacterium, Helicobacter pylori (H. pylori), for the purpose of treating many stomach diseases (chronic gastritis and peptic ulcers) and preventing stomach cancer. It is especially urgent because the mentioned pathogen infects over 50% of the world's population. Recent studies have shown the potential of natural products, such as medicinal plant and bee products, on the inhibition of H. pylori growth. Propolis is such a bee product, with known antimicrobial activities. The main scope of the study is the determination of the antimicrobial activity of ethanolic extracts from 11 propolis samples (mostly from Poland, Ukraine, Kazakhstan, and Greece) against H. pylori, as well as selected bacterial and yeast species. The most effective against H. pylori was the propolis from Ukraine, with an MIC = 0.02 mg/mL while the rest of samples (except one) had an MIC = 0.03 mg/mL. Moreover, significant antimicrobial activity against Gram+ bacteria (with an MIC of 0.02-2.50 mg/mL) and three yeasts (with an MIC of 0.04-0.63 mg/mL) was also observed. A phytochemical analysis (polyphenolic profile) of the propolis samples, by ultra-high-performance liquid chromatography-diode array detector-mass spectrometry (UPLC-DAD-MS), was performed. An evaluation of the impact of the propolis components on antimicrobial activity, consisting of statistical analyses (principal component analysis (PCA) and hierarchical fuzzy clustering), was then performed. It was observed that the chemical composition characteristics of the poplar propolis correlated with higher antibacterial activity, while that of the poplar and aspen propolis correlated with weaker antibacterial activity. To summarize the activity in vitro, all tested propolis samples indicate that they can be regarded as useful and potent factors in antimicrobial therapies, especially against H. pylori.
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INTRODUCTION: Green, black and pu-erh teas are known to have strong antiradical properties in comparison to other plant raw materials. In this study fifteen different teas belonging to three types, green, black, and pu-erh tea (five of each kind), were investigated for their antiradical properties. Antiradical activity of extracts and raw materials was measured using DPPH and ABTS(â¢+) radicals. MATERIAL/METHODS: The antiradical potential of teas was measured using DPPH (1,1-diphenyl-2-picrylhydrazyl) and ABTS(â¢+) (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt). The TAU515 and TAU734 (antiradical activity units) were defined with the tests of DPPH and ABTS(â¢+), respectively, and the number of units was calculated per mg of extracts (TAU(515/mg) and TAU(734/mg)) and g of raw materials (TAU(515/g) and TAU(734/g)). RESULTS/DISCUSSION: When the extracts were investigated, the highest number of antiradical units (TAU(515/mg); TAU(734/mg)) was found per mg of ethyl acetate extract obtained from green tea leaves assayed with DPPH and ABTS(â¢+): 57.7±0.8; 106±2.0, units respectively. When the number of antiradical units TAU(515/g) was calculated per g of raw material, the highest antiradical potential (7601±92) was observed for green tea leaves. The greatest TAU(734/g) value (14,303±354) was also calculated for green tea leaves. The lowest value of antiradical activity units TAU(515/g) (684±30) and TAU(734/g) (1870±180) was calculated for pu-erh tea leaves. A high positive correlation was found between the antiradical activity of the raw materials and the content of phenolic compounds in these raw materials.
Assuntos
Antioxidantes/química , Camellia sinensis/química , Sequestradores de Radicais Livres/química , Fenóis/química , Chá/química , Antioxidantes/análise , Sequestradores de Radicais Livres/análise , Fenóis/análise , Extratos Vegetais/análise , Extratos Vegetais/química , Folhas de Planta/química , Estatística como AssuntoRESUMO
Objectives: The aim of this review is to summarize the most relevant scientific discoveries regarding SARS- CoV-2 virus infection, with the special emphasis put on its pathophysiology and way of treatment. Methods: In November 2020, the research articles have been collected and examined manually to pick the most relevant. In case of fresh topics, e.g. vaccines, we have performed searching using adequate keywords. Preliminary analysis was conducted on 200 manuscripts. Results: Among them 59 papers were out-of-scope, and thus were rejected from the further elaboration. Another 25 papers were rebuffed because they presented topics, that have been extensively described in the already included papers. Basing on the 29 papers we have estimated ratio of observed SARS-CoV-2 infection clinical manifestations and comorbidities among hospitalized patients. 12 papers let us evaluate frequencies of deviations within laboratory markers concentrations, as well as weighted average of the laboratory tests results. Conclusion: Due to the significant infectivity of the virus and its harmfulness towards organism further studies are required to find accurate way of the disease treatment and suspending its spreading.
Assuntos
COVID-19 , Pandemias , COVID-19/epidemiologia , COVID-19/fisiopatologia , COVID-19/terapia , HumanosRESUMO
Flavonoids are known for their antiradical capacity, and this ability is strongly structure-dependent. In this research, the activity of flavones and flavonols in a water solvent was studied with the density functional theory methods. These included examination of flavonoids' molecular and radical structures with natural bonding orbitals analysis, spin density analysis and frontier molecular orbitals theory. Calculations of determinants were performed: specific, for the three possible mechanisms of action-hydrogen atom transfer (HAT), electron transfer-proton transfer (ETPT) and sequential proton loss electron transfer (SPLET); and the unspecific-reorganization enthalpy (RE) and hydrogen abstraction enthalpy (HAE). Intramolecular hydrogen bonding, catechol moiety activity and the probability of electron density swap between rings were all established. Hydrogen bonding seems to be much more important than the conjugation effect, because some structures tends to form more intramolecular hydrogen bonds instead of being completely planar. The very first hydrogen abstraction mechanism in a water solvent is SPLET, and the most privileged abstraction site, indicated by HAE, can be associated with the C3 hydroxyl group of flavonols and C4' hydroxyl group of flavones. For the catechol moiety, an intramolecular reorganization to an o-benzoquinone-like structure occurs, and the ETPT is favored as the second abstraction mechanism.
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In this study, we evaluated antimicrobial activity, antimicrobial activity in combination with antibiotics, and chemical composition of Nepalese propolis 70% ethanolic extracts. Propolis originated from two genera of bees - Apis mellifera L. and Trigona sp. HPLC-DAD-MS/MS analyses revealed that the composition of both extracts was almost the same and the main components were flavonoid aglycones (mainly neoflavonoids, isoflavonoids) and pterocarpans. The highest antibacterial activity (disc diffusion test) was observed against Helicobacter pylori, Staphylococcus aureus and Shigella flexneri. Antibiotics exhibited synergism with Apis mellifera L. and Trigona sp. propolis against S. aureus and the strongest effect was observed for the combination with amikacin and tetracycline. Moreover, Nepalase propolis inhibited filamentation of C. albicans and caused oxidative stress by production of the superoxide anion radical (O2-) and a lower concentration of the hydroxyl radical (OH). Propolis extracts are potent antibacterial agents and may be used in combination with antibiotics.
Assuntos
Antibacterianos/farmacologia , Antifúngicos/farmacologia , Abelhas , Candida albicans/efeitos dos fármacos , Helicobacter pylori/efeitos dos fármacos , Própole/farmacologia , Staphylococcus aureus/efeitos dos fármacos , Animais , Antibacterianos/isolamento & purificação , Antifúngicos/isolamento & purificação , Candida albicans/crescimento & desenvolvimento , Candida albicans/metabolismo , Sinergismo Farmacológico , Helicobacter pylori/crescimento & desenvolvimento , Testes de Sensibilidade Microbiana , Nepal , Estresse Oxidativo/efeitos dos fármacos , Própole/química , Staphylococcus aureus/crescimento & desenvolvimentoRESUMO
BACKGROUND: Extracts from the Rosaceae family fruits are rich in natural, biologically active polyphenols, but their antibacterial properties are still poorly understood. Therefore, we focused our research on their activity against uropathogenic Escherichia coli strains. This research also concerned the proof of their ability to reduce oxidative stress and modulate the activity of lipoxygenase-1 (LOX-1). It is well-known that plants represent a source of bioactive compounds whose antioxidant activity may be useful in protecting against oxidative damage in cells, which have been linked to the pathogenesis of many oxidative diseases. OBJECTIVES: The study determined the biological activity of methanol (ME) and water (WE) extracts rich in polyphenols from the hawthorn (Crataegus monogyna Jacq.), dog rose (Rosa canina L.), quince (Cydonia oblonga Mill.), and Japanese quince (Chaenomeles speciosa (Sweet) Nakai). MATERIAL AND METHODS: The antioxidant capacity was evaluated using 1,1diphenyl-2-picrylhydrazyl (DPPHâª) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS+âª) radical scavenging methods. The inhibition of liposome membrane oxidation was studied using the thiobarbituric acid reactive substances assay. Lipoxygenase-1 inhibitory activity was measured using the spectrophotometric method. Bacterial growth was determined by evaluating the number of colony forming units per milliliter (CFU/mL). Hydrophobicity was established with salt aggregation hydrophobicity test (SAT). Swimming and swarming motilities were evaluated using soft-agar plates. Production of curli fimbriae was estimated on CFA agar. The P fimbriae were detected using the hemagglutination of erythrocytes. Adhesion of bacteria to human uroepithelial cells was assessed. The amount of biofilm was determined spectrophotometrically. RESULTS: We showed that most of these extracts are effective antioxidants and free radical scavengers, possess reasonable potential anti-inflammatory activity, reduce the adhesion of E. coli to uroepithelial cells, and reduce the ability of these bacteria to form biofilm. CONCLUSIONS: The extracts examined, showing very promising biological properties, seem to be able to join the list of substances that can be used as dietary supplements aimed at preventing, for example, urinary tract infections, or as support of drug treatment in many diseases.
Assuntos
Antioxidantes/farmacologia , Aderência Bacteriana/efeitos dos fármacos , Inibidores de Lipoxigenase/farmacologia , Extratos Vegetais/farmacologia , Rosaceae/química , Células Cultivadas , Células Epiteliais/microbiologia , Escherichia coli/efeitos dos fármacos , Frutas/química , Humanos , LipoxigenaseRESUMO
Dried leaf samples of Pyrus communis L. var. 'Conference' and Pyrus pyrifolia Burm. f. (Nakai) var. 'Shinseiki' were subjected to the successful extraction procedures using various solvents, followed by filtering and/or drying liquid plant preparations under reduced pressure. As a result of this, for each Pyrus leaf sample examined, four dried residues were obtained, including methanolic (EA), ethyl acetate (EC), water (EB), and the residue obtained from aqueous solution (ED). Antiradical activity of these preparations was measured using the ABTS+⢠assay, and antimicrobial activity was examined using various strains of bacteria and yeasts. The highest antiradical activity was observed for EC from leaves of P. communis var. 'Conference' collected in May, but the highest average antibacterial activity was noted for EC residues from P. pyrifolia var. 'Shinseiki' collected in May. Antibacterial activity positively correlated with concentration of hydroquinone in extracts. No antifungal activity was observed for any extract. In addition, qualitative and quantitative analyses of active polyphenolic components in extracts from Pyrus were performed. Hydroquinone and hydroxycinnamic acid derivatives were analyzed using a new optimized method comprising reversed-phase high-performance liquid chromatography (RP-LC) coupled with simultaneous photodiode-array and fluorescence detection.
Assuntos
Antibacterianos/química , Antioxidantes/química , Compostos Fitoquímicos/química , Extratos Vegetais/química , Folhas de Planta/química , Polifenóis/química , Pyrus/química , Antifúngicos/química , Hidroquinonas/química , Estações do Ano , Solventes/químicaRESUMO
An important focus of modern medicine is the search for new substances and strategies to combat infectious diseases, which present an increasing threat due to the growth of bacterial resistance to antibiotics. Another problem concerns free radicals, which in excess can cause several serious diseases. An alternative to chemical synthesis of antimicrobial and antiradical compounds is to find active substances in plant raw materials. We prepared extracts from leaves of five species of the genus Bergenia: B. purpurascens, B. cordifolia, B. ligulata, B. crassifolia, and B. ciliata. Antimicrobial and antiradical features of extracts and raw materials were assessed, and the quantities of phenolic compounds were determined. We also evaluated, using high-performance liquid chromatography, the amounts of arbutin and hydroquinone, compounds related to antimicrobial activity of these raw materials. The strongest antiradical properties were shown by leaves of B. crassifolia and B. cordifolia, the lowest by leaves of B. ciliata. The antiradical activity of extracts showed a strong positive correlation with the amount of phenols. All raw materials have significant antimicrobial properties. Among them, the ethyl acetate extracts were the most active. Antimicrobial activity very weakly correlated with the amount of arbutin, but correlated very strongly with the contents of both hydroquinone and phenolic compounds. Additional experiments using artificially prepared mixtures of phenolic compounds and hydroquinone allowed us to conclude that the most active antimicrobial substance is hydroquinone.
Assuntos
Anti-Infecciosos/química , Antioxidantes/química , Extratos Vegetais/química , Folhas de Planta/química , Saxifragaceae/química , Antibacterianos/química , Antibacterianos/farmacologia , Anti-Infecciosos/farmacologia , Antioxidantes/farmacologia , Arbutina/química , Compostos de Bifenilo/química , Cromatografia Líquida de Alta Pressão/métodos , Hidroquinonas/química , Fenóis/química , Extratos Vegetais/farmacologiaRESUMO
INTRODUCTION: There is a need for screening studies in order to select plant extracts or plant raw materials with strong antiradical activity which could be used as medicines or substances to protect food from oxidation. In this paper the antiradical activities of some plant raw materials were investigated. MATERIAL/METHODS: The intensity of antiradical activity of extracts was investigated using DPPH* (1,1-diphenyl-2-picrylhydrazyl) radical as a substrate. The antiradical activity unit was defined and the number of antiradical activity units EAU(515) per 1 mg of plant extract and TAU(515) per 1 g of plant raw materials were calculated. Plant extracts were obtained with a methanol or methanol-water (1:1) solution. RESULTS AND DISCUSSION: The highest numbers of antiradical activity units EAU(515) were found for ethyl acetate extracts from the leaves of green and black tea. The lowest EAU(515) value was demonstrated for garlic extracts. When the number of activity units TAU(515) was calculated per 1 g of raw material, the highest value was found for the leaves of green tea, much lower for bee propolis and the leaves of black tea. On the basis of the presented results, green tea leaves, bee propolis, and the leaves of black tea could be considered as potential sources of extracts with strong antiradical activity.