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1.
Braz J Microbiol ; 2024 Apr 12.
Artigo em Inglês | MEDLINE | ID: mdl-38605254

RESUMO

An Actinobacteria - Kitasatospora sp. K002 - was isolated from the soil of Cerrado, a savanna-like Brazilian biome. Herein, we conducted a phylogenetic, phenotypic and physiological characterization, revealing its potential for biotechnological applications. Kitasatospora sp. K002 is an aerobic, non-motile, Gram-positive bacteria that forms grayish-white mycelium on solid cultures and submerged spores with vegetative mycelia on liquid cultures. The strain showed antibacterial activity against Bacillus subtilis, Pseudomonas aeruginosa and Escherichia coli. Genomic analysis indicated that Kitasatospora xanthocidica JCM 4862 is the closest strain to K002, with a dDDH of 32.8-37.8% and an ANI of 86.86% and the pangenome investigations identified a high number of rare genes. A total of 60 gene clusters of 22 different types were detected by AntiSMASH, and 22 gene clusters showed low similarity (< 10%) with known compounds, which suggests the potential production of novel bioactive compounds. In addition, phylogenetic analysis and morphophysiological characterization clearly distinguished Kitasatospora sp. K002 from other related species. Therefore, we propose that Kitasatospora sp. K002 should be recognized as a new species of the genus Kitasatospora - Kitasatospora brasiliensis sp. nov. (type strains = K002).

2.
Food Chem ; 383: 132450, 2022 Jul 30.
Artigo em Inglês | MEDLINE | ID: mdl-35182861

RESUMO

Dehydration of the edible seaweed Chondrus crispus was performed by freeze-drying, conventional oven-drying and emerging microwave hydrodiffusion and gravity (MHG). In this work, the drying kinetics and modelling, estimating specific energy consumption and environmental impact of distinct processes were tested. Color and microstructural features of the dried macroalgae were also evaluated, as well as their nutritive characterization, chemical profile and bioactive potential (antioxidant and antimicrobial activities). Moreover, collected liquid phases from both the defrosted and MHG treated samples were also characterized. All methodologies provided solid phases with an adequate final moisture content. MHG significantly reduced the needed time, specific energy consumption and environmental impact, providing C. crispus with intermediate color and histological structure characteristics. Overall, this trend was also defined to tested chemical parameters and bioactivities. MHG provided aqueous extracts with potential bioactive compounds from this red alga, increasing the efficiency of this drying method.


Assuntos
Chondrus , Alga Marinha , Antioxidantes/química , Chondrus/química , Dessecação , Liofilização , Alga Marinha/química , Verduras
3.
Arq. bras. med. vet. zootec. (Online) ; 73(6): 1413-1421, Nov.-Dec. 2021. tab, graf
Artigo em Inglês | LILACS, VETINDEX | ID: biblio-1355684

RESUMO

The objective this study was to identify differences in the morphogenic patterns of four Urochloa brizantha cultivars (marandu, piatã, xaraés and paiaguás grasses) during the stockpiling period. A completely randomized design was used, with three replications, in experimental plots of 9m². The evaluations took place over 2 years. The grasses were stockpiled for 92 (Year 1) and 95 (Year 2) days. The leaf appearance rate of paiaguás grass was higher, compared to other grasses. In Year 1, the stem elongation rate of xaraés grass was higher than other grasses. At the end of stockpiling period of Year 1, the tiller population density (TPD) was higher in the paiaguás grass, intermediate in the xaraés and marandu grasses and lower in the piatã grass. At the end of the stockpiling period in Year 2, TPD was higher in the paiaguás grass canopy, intermediate in the marandu and piatã grasses canopies, and lower in the xaraés grass canopy. Paiaguás grass has greater leaf growth during the stockpiling period and is therefore suitable for use under stockpiled grazing. Xaraés grass has high stem elongation during the stockpiling period, which is why its use under stockpiled grazing must be accompanied by adjustments in pasture management.(AU)


O objetivo deste estudo foi identificar diferenças nos padrões morfogênicos de quatro cultivares de Urochloa brizantha (marandu, piatã, xaraés e paiaguás) durante o período de diferimento. Foi utilizado o delineamento inteiramente ao acaso, com três repetições, em parcelas experimentais de 9m². As avaliações ocorreram por dois anos. Os capins foram diferidos por 92 (Ano 1) e 95 (Ano 2) dias. A taxa de aparecimento foliar do capim-paiaguás foi maior, em comparação aos demais capins. No Ano 1, a taxa de alongamento do colmo do capim-xaraés foi superior aos demais capins. No final do diferimento do Ano 1, a densidade populacional de perfilho (DPP) foi maior no capim-paiaguás, intermediária nos capins xaraés e marandu e inferior no capim-piatã. No fim do período de diferimento do Ano 2, a DPP foi superior no dossel de capim-paiaguás, intermediária nos dosséis dos capins marandu e piatã, e menor no dossel de capim-xaraés. O capim-paiaguás tem maior crescimento foliar durante o período de diferimento, sendo, portanto, apropriado para uso sob pastejo diferido. O capim-xaraés apresenta elevado alongamento de colmo durante o período de diferimento, razão pela qual seu uso sob pastejo diferido deve vir acompanhado de ajustes no manejo da pastagem.(AU)


Assuntos
Caules de Planta , Brachiaria/crescimento & desenvolvimento , Morfogênese/fisiologia
4.
Food Funct ; 12(6): 2631-2643, 2021 Mar 21.
Artigo em Inglês | MEDLINE | ID: mdl-33645604

RESUMO

Prostate cancer (PCa) is one of the most common cancers in men, with a huge impact on their health. The use of Castanea sativa Mill. flowers (CFs) in beverages has been reported, through ancestral claims, as having health benefits. In vitro research has evidenced the properties of CFs, such as antitumor and antioxidant activities. This study aimed to evaluate the effects of CF extract in an animal model of PCa. Forty male Wistar Unilever rats were randomly assigned to four groups: control, induced, control + CF, and induced + CF groups. Animals from the induced groups were exposed to a multistep protocol for PCa induction. The CF extract, rich in trigalloyl-HHDP-glucoside and obtained via decoction, was administered to the CF groups in drinking water (3 mg per animal per day) for 49 weeks. Animals were sacrificed at 61 weeks of age. Regarding the effects of CFs on dorsolateral prostate tumorigenesis, no significant differences were observed between the induced and induced + CF groups. However, animals exposed to the CF extract showed fewer inflammation areas on the dorsolateral prostate lobe than those not exposed to CF. Moreover, the CF extract alleviated the hepatic oxidative stress associated with the multistep protocol, resulting in lower levels of lipid peroxidation. These results suggest that CF extract has antioxidant and anti-inflammatory properties.


Assuntos
Antineoplásicos/farmacologia , Fagaceae/química , Flores/química , Extratos Vegetais/farmacologia , Neoplasias da Próstata/metabolismo , Animais , Fígado/efeitos dos fármacos , Fígado/metabolismo , Masculino , Neoplasias Experimentais , Estresse Oxidativo/efeitos dos fármacos , Próstata/efeitos dos fármacos , Próstata/metabolismo , Próstata/patologia , Neoplasias da Próstata/patologia , Ratos , Ratos Wistar
5.
Food Chem ; 333: 127460, 2020 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-32673953

RESUMO

Arbutus unedo L. (strawberry tree) has showed considerable content in phenolic compounds, especially flavan-3-ols (catechin, gallocatechin, among others). The interest of flavan-3-ols has increased due their bioactive actions, namely antioxidant and antimicrobial activities, and by association of their consumption to diverse health benefits including the prevention of obesity, cardiovascular diseases or cancer. These compounds, mainly catechin, have been showed potential for use as natural preservative in foodstuffs; however, their degradation is increased by pH and temperature of processing and storage, which can limit their use by food industry. To model the degradation kinetics of these compounds under different conditions of storage, three kinds of machine learning models were developed: i) random forest, ii) support vector machine and iii) artificial neural network. The selected models can be used to track the kinetics of the different compounds and properties under study without the prior knowledge requirement of the reaction system.


Assuntos
Ericaceae/química , Conservantes de Alimentos/química , Aprendizado de Máquina , Extratos Vegetais/química , Antioxidantes/química , Catequina/análise , Catequina/química , Flavonoides/análise , Flavonoides/química , Armazenamento de Alimentos , Frutas/química , Concentração de Íons de Hidrogênio , Cinética , Redes Neurais de Computação , Pós/análise , Pós/química , Soluções/química , Máquina de Vetores de Suporte , Temperatura
6.
Food Funct ; 9(6): 3134-3142, 2018 Jun 20.
Artigo em Inglês | MEDLINE | ID: mdl-29790547

RESUMO

Melissa officinalis is a plant from the family Lamiaceae, native in Europe particularly in the Mediterranean region. Given our interest in identifying extracts and compounds capable of inhibiting tumor cell growth, and given the antioxidant content and the high consumption of Melissa officinalis in Portugal, this study aimed to test the tumor cell growth inhibitory activity of five different extracts of this plant (aqueous, methanolic, ethanolic, hydromethanolic and hydroethanolic) in three human tumor cell lines: MCF-7, AGS and NCI-H460. All extracts decreased cell growth in all cell lines in a concentration-dependent manner. The ethanolic extract was the most potent one, presenting a GI50 concentration of approximately 100.9 µg mL-1 in the NCI-H460 lung cancer cells. This extract was characterized by LC-DAD-ESI/MS regarding its phenolic composition, revealing rosmarinic acid as the most abundant compound. The GI75 concentration of this extract affected the cell cycle profile of these cells. In addition, both the GI50 and the GI75 concentrations of the extract induced cellular apoptosis. Moreover, treatment of NCI-H460 cells with this extract caused a decrease in pro-caspase 3 and an increase in p53 levels. This study emphasizes the relevance of the study of natural products as inhibitors of tumor cell growth.


Assuntos
Antineoplásicos Fitogênicos/farmacologia , Apoptose/efeitos dos fármacos , Ciclo Celular/efeitos dos fármacos , Proliferação de Células/efeitos dos fármacos , Neoplasias Pulmonares/fisiopatologia , Melissa/química , Extratos Vegetais/farmacologia , Linhagem Celular Tumoral , Humanos , Neoplasias Pulmonares/tratamento farmacológico
7.
Food Chem Toxicol ; 114: 155-169, 2018 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-29454868

RESUMO

Wild native species are usually grown under severe and stressful conditions, while a special category includes halophytic species that are tolerant to high salinity levels. Native halophytes are valuable sources of bioactive molecules whose content is higher in saline than normal conditions, since the adaptation to salinity mechanisms involve apart from changes in physiological functions the biosynthesis of protectant molecules. These compounds include secondary metabolites with several beneficial health effects which have been known since ancient times and used for medicinal purposes. Recent trends in pharmaceutical industry suggest the use of natural compounds as alternative to synthetic ones, with native herbs being strong candidates for this purpose due to their increased and variable content in health promoting compounds. In this review, an introductory section about the importance of native herbs and halophyte species for traditional and modern medicine will be presented. A list of the most important halophytes of the Mediterranean basin will follow, with special focus on their chemical composition and their reported by clinical and ethnopharmacological studies health effects. The review concludes by suggesting future requirements and perspectives for further exploitation of these valuable species within the context of sustainability and climate change.


Assuntos
Extratos Vegetais/farmacologia , Plantas Medicinais/química , Plantas Tolerantes a Sal/química , Saúde , Humanos , Região do Mediterrâneo , Extratos Vegetais/química , Plantas Medicinais/classificação , Plantas Medicinais/metabolismo , Plantas Tolerantes a Sal/classificação , Plantas Tolerantes a Sal/metabolismo , Cloreto de Sódio/análise , Cloreto de Sódio/metabolismo
8.
Carbohydr Polym ; 151: 160-171, 2016 Oct 20.
Artigo em Inglês | MEDLINE | ID: mdl-27474555

RESUMO

Porphyrins and some of its derivatives are well known and widely used as photosensitizers (PSs) for Photodynamic Therapy of Cancer (PDT). The present study regards the characterization and evaluation of a synthesized asymmetric porphyrin dye in solution to be used as PS for PDT. This molecule was also incorporated into biopolymeric films composed by chitosan, polyethylene glycol (PEG) and gelatin in order to overtake some of the disadvantages inherent to the PS, but more important, to evaluate the potential of a system composed by the porphyrin/biopolymer to be applied as localized therapeutic agents. FTIR spectroscopy showed a strong interaction between the polymers involved in the preparation of the films under study: film 1: chitosan, film 2: chitosan/PEG and film 3: chitosan/gelatin. Photochemical studies were performed for the dye in solution and into the three different biopolymeric films. Ground state absorption showed the characteristic bands of these kinds of dyes in solution and also incorporated into the films. The films composed by porphyrin/chitosan and porphyrin into chitosan/gelatin, revealed the presence of non-emissive aggregates exhibiting a strong quenching effect in the fluorescence intensity, quantum yields and lifetimes. In this way, the system composed by the porphyrin incorporated into the chitosan/PEG film presents the best fluorescence quantum yield and lifetime. The transient absorption spectra were obtained for all the systems indicating the formation of an excited triplet state of the porphyrins following excitation, which takes special importance in the generation of phototoxic species namely singlet oxygen. Singlet oxygen quantum yields were also determined and the results obtained were very promising for the dye in solution but also for the dye into the different substrates. The release of the dye from the three different films onto a buffer solution was evaluated and we conclude that after a few days the dye was completely released by the substrates in acidic conditions. Confocal microscopy was used for the determination of the intracellular localization of the compound under study onto HeLa cells (human cervical cancer cells line). The evaluation of the PSs anticancer activity assumes special importance for PDT studies. The system should be less toxic in the dark and more active when irradiated, therefore, toxicity in the dark and phototoxicity studies onto HeLa cells were performed.


Assuntos
Quitosana , Corantes , Gelatina , Fármacos Fotossensibilizantes , Polietilenoglicóis , Porfirinas , Sobrevivência Celular/efeitos dos fármacos , Quitosana/administração & dosagem , Quitosana/química , Corantes/administração & dosagem , Corantes/química , Portadores de Fármacos/administração & dosagem , Portadores de Fármacos/química , Liberação Controlada de Fármacos , Fluorescência , Gelatina/administração & dosagem , Gelatina/química , Células HeLa , Humanos , Luz , Neoplasias/tratamento farmacológico , Fotoquimioterapia , Fármacos Fotossensibilizantes/administração & dosagem , Fármacos Fotossensibilizantes/química , Polietilenoglicóis/administração & dosagem , Polietilenoglicóis/química , Porfirinas/administração & dosagem , Porfirinas/química
9.
Food Chem ; 201: 168-76, 2016 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-26868562

RESUMO

The effect of storage at two temperatures (5±1 and 25±1 °C and 60-70±5% RH for both temperatures) on marketability and quality features of dry bulbs of local landrace "Vatikiotiko", "Sivan F1", "Red Cross F1" and "Creamgold" was examined. During storage measurements for fresh and dry weight of bulbs, tunic and flesh color, bulb firmness, nutritional value and mineral composition were taken at regular intervals. Storage concluded when either bulbs lost marketable quality or sprouting occurred. "Vatikiotiko" onion can be stored for at least 7months at 25±1 °C, whereas at 5±1 °C storage could be prolonged without significant marketability and quality loss. The fact that "Vatikiotiko" landrace can be considered a "storage" onion has to be capitalized in order to increase total production and yield, since storage could cover the market needs that arise throughout the year.


Assuntos
Valor Nutritivo , Cebolas/química , Armazenamento de Alimentos , Grécia , Minerais/análise , Temperatura
10.
J Appl Microbiol ; 118(3): 592-8, 2015 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-25487785

RESUMO

AIMS: The effects of irradiation (gamma-rays and electron-beams), up to 10 kGy, in the antimicrobial activity of mushroom species (Boletus edulis, Hydnum repandum, Macrolepiota procera and Russula delica) differently processed (fresh, dried, freeze) were evaluated. METHODS AND RESULTS: Clinical isolates with different resistance profiles from hospitalized patients in Local Health Unit of Mirandela, Northeast of Portugal, were used as target micro-organisms. The mushrooms antimicrobial activity did not suffer significant changes that might compromise applying irradiation as a possible mushroom conservation technology. CONCLUSIONS: Two kGy dose (independently of using gamma-rays or electron-beams) seemed to be the most suitable choice to irradiate mushrooms. SIGNIFICANCE AND IMPACT OF THE STUDY: This study provides important results in antimicrobial activity of extracts prepared from irradiated mushroom species.


Assuntos
Agaricales/efeitos da radiação , Antibacterianos/efeitos da radiação , Elétrons , Raios gama , Antibacterianos/farmacologia , Bactérias/efeitos dos fármacos , Bactérias/isolamento & purificação , Extratos Celulares/farmacologia , Humanos
11.
J Appl Microbiol ; 116(1): 32-8, 2014 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-24107088

RESUMO

AIMS: The main objective of this study was to evaluate the capacity of wild mushroom extracts to potentiate the action of standard antibiotics, through synergisms that allow a decrease in their therapeutic doses and ultimately contribute to the reduction of resistances. METHODS AND RESULTS: Wild mushroom extracts were applied to different multiresistant micro-organisms (Escherichia coli, extended-spectrum beta-lactamase-producing (ESBL) E. coli and methicillin-resistant Staphylococcus aureus (MRSA), combined with commercial antibiotics (penicillin, ampicillin, amoxicillin/clavulanic acid, cefoxitin, ciprofloxacin, cotrimoxazol, levofloxacin). Microdilution method was used to determine minimum inhibitory concentrations (MICs). The results obtained showed higher synergistic effects against MRSA than against E. coli. Mycena rosea and Fistulina hepatica were the best extracts for synergistic effects against MRSA. The efficiency of Russula delica extract against E. coli 1 (resistant to ampicillin, ciprofloxacin and trimethoprim/sulfasoxazole) and E. coli 2 (resistant to amoxicillin/clavulanic acid and ampicillin) was higher than that of Leucopaxillus giganteus extract; nevertheless, the latter extract exhibited better synergistic effects against ESBL E. coli. CONCLUSIONS: This study shows that, similarly to plants, some mushroom extracts can potentiate the action of antibiotics extensively used in clinical practice for Gram-positive or Gram-negative bacteria, with positive action even against multiresistant bacteria. SIGNIFICANCE AND IMPACT OF THE STUDY: Mushroom extracts could decrease therapeutic doses of standard antibiotics and reduce micro-organism's resistance to those drugs.


Assuntos
Antibacterianos , Staphylococcus aureus Resistente à Meticilina , Agaricales , Antibacterianos/farmacologia , Bactérias/efeitos dos fármacos , Escherichia coli/efeitos dos fármacos , Humanos , Staphylococcus aureus Resistente à Meticilina/efeitos dos fármacos , Testes de Sensibilidade Microbiana
12.
J Appl Microbiol ; 115(2): 346-57, 2013 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-23510516

RESUMO

AIM AND METHODS: Although the antimicrobial activity of extracts from several mushroom species has been reported, studies with the individual compounds present in that extracts are scarce. Herein, the antimicrobial activity of different phenolic compounds identified and quantified in mushroom species from all over the world was evaluated. Furthermore, a structure-activity relationship (SAR) analysis and molecular docking studies were performed, in order to provide insights into the mechanism of action of potential antimicrobial drugs for resistant micro-organisms. RESULTS: 2,4-Dihydroxybenzoic and protocatechuic acids were the phenolic compounds with higher activity against the majority of Gram-negative and Gram-positive bacteria. Furthermore, phenolic compounds inhibited more MRSA than methicillin-susceptible Staphylococcus aureus. MRSA was inhibited by 2,4-dihydroxybenzoic, vanillic, syringic (MICs = 0.5 mg ml(-1) ) and p-coumaric (MIC = 1 mg ml(-1) ) acids, while these compounds at the same concentrations had no inhibitory effects against methicillin-susceptible Staph. aureus. CONCLUSIONS: The presence of carboxylic acid (COOH), two hydroxyl (OH) groups in para and ortho positions of the benzene ring and also a methoxyl (OCH3 ) group in the meta position seems to be important for anti-MRSA activity. SIGNIFICANCE AND IMPACT OF THE STUDY: Phenolic compounds could be used as antimicrobial agents, namely against some micro-organisms resistant to commercial antibiotics.


Assuntos
Agaricales/química , Antibacterianos/química , Antibacterianos/farmacologia , Fenóis/química , Fenóis/farmacologia , Bactérias Gram-Negativas/efeitos dos fármacos , Bactérias Gram-Positivas/efeitos dos fármacos , Testes de Sensibilidade Microbiana , Simulação de Acoplamento Molecular , Proteínas de Ligação às Penicilinas/química , Relação Estrutura-Atividade
13.
Food Sci Technol Int ; 18(3): 281-90, 2012 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-22701061

RESUMO

Polyunsaturated fatty acids play an important role in human nutrition, being associated with several health benefits. The analyzed vegetables, in spite of its low fat content, lower than 2%, present a high proportion of polyunsaturated fatty acids of n-3, n-6 and n-9 series, such as α-linolenic, linoleic and oleic acids, respectively. Wild edible plants contain in general a good balance of n-6 and n-3 fatty acids. The present study tries to contribute to the preservation and valorization of traditional food resources, studying the fatty acids profile of 20 wild vegetables by gas-liquid chromatography with flame ionization detection. Results show that species in which leaves are predominant in their edible parts have in general the highest polyunsaturated fatty acid/saturated fatty acid ratios: Rumex pulcher (5.44), Cichorium intybus (5.14) and Papaver rhoeas (5.00). Due to the low n-6/n-3 ratios of the majority of the samples, they can be considered interesting sources of n-3 fatty acids, especially those with higher total fat amount, such as Bryonia dioica, Chondrilla juncea or Montia fontana, with the highest contents of α-linolenic acid (67.78, 56.27 and 47.65%, respectively). The wild asparaguses of Asparagus acutifolius and Tamus communis stand out for their linoleic acid content (42.29 and 42.45%, respectively). All these features reinforce the interest of including wild plants in diet, as an alternative to the variety of vegetables normally used.


Assuntos
Ácidos Graxos Insaturados/química , Verduras/química , Análise de Alimentos , Valor Nutritivo , Folhas de Planta/química , Caules de Planta/química , Espanha
14.
J Appl Microbiol ; 113(2): 466-75, 2012 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-22621239

RESUMO

AIMS: This work aimed to screen the antimicrobial activity of aqueous methanolic extracts of 13 mushroom species, collected in Bragança, against several clinical isolates obtained in Hospital Center of Trás-os-Montes and Alto Douro, Portugal. METHODS AND RESULTS: Microdilution method was used to determine the minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC). MIC results showed that Russula delica and Fistulina hepatica extracts inhibited the growth of gram-negative (Escherichia coli, Morganella morganni and Pasteurella multocida) and gram-positive (Staphylococcus aureus, MRSA, Enterococcus faecalis, Listeria monocytogenes, Streptococcus agalactiae and Streptococcus pyogenes) bacteria. A bactericide effect of both extracts was observed in Past. multocida, Strep. agalactiae and Strep. pyogenes with MBC of 20, 10 and 5 mg ml⁻¹, respectively. Lepista nuda extract exhibited a bactericide effect upon Past. multocida at 5 mg ml⁻¹ and inhibited Proteus mirabilis at 20 mg ml⁻¹. Ramaria botrytis extract showed activity against Enterococcus faecalis and L. monocytogenes, being bactericide for Past. multocida, Strep. agalactiae (MBCs 20 mg ml⁻¹) and Strep. pyogenes (MBC 10 mg ml⁻¹). Leucopaxillus giganteus extract inhibited the growth of E. coli and Pr. mirabilis, being bactericide for Past. multocida, Strep. pyogenes and Strep. agalactiae. CONCLUSIONS: Fistulina hepatica, R. botrytis and R. delica are the most promising species as antimicrobial agents. SIGNIFICANCE AND IMPACT OF THE STUDY: Mushroom extracts could be an alternative as antimicrobials against pathogenic micro-organisms resistant to conventional treatments.


Assuntos
Agaricales/química , Antibacterianos/farmacologia , Bactérias Gram-Negativas/efeitos dos fármacos , Bactérias Gram-Positivas/efeitos dos fármacos , Farmacorresistência Bacteriana Múltipla , Materia Medica/farmacologia , Testes de Sensibilidade Microbiana , Portugal
15.
SAR QSAR Environ Res ; 22(5-6): 603-10, 2011.
Artigo em Inglês | MEDLINE | ID: mdl-21846264

RESUMO

In computational chemistry, vast quantities of compounds are generated, and there is a need for cheminformatic tools to efficiently build chemical compound libraries. Several software tools for drawing and editing compound structures are available, but they lack options for automatic generation of chemical libraries. We have implemented ChemT, an easy-to-use open-source software tool that automates the process of preparing custom-made template-based chemical libraries. ChemT automatically generates three-dimensional chemical libraries by inputting a chemical template and the functional groups of interest. The graphical user interface of ChemT is self-explanatory, and a complete tutorial is provided. Several file formats are accepted by ChemT, and it is possible to filter the generated compounds according to different physicochemical properties. The compounds can be subject to force field minimization, and the resulting three-dimensional structures recorded on commonly used file formats. ChemT may be a valuable tool for investigators interested in using in silico virtual screening tools, such as quantitative structure-activity relationship modelling or molecular docking, in order to prioritize compounds for further chemical synthesis. To demonstrate the usefulness of ChemT, we describe an example based on a thieno[3,2-b]pyridine template. ChemT is available free of charge from our website at http://www.esa.ipb.pt/~ruiabreu/chemt .


Assuntos
Relação Quantitativa Estrutura-Atividade , Bibliotecas de Moléculas Pequenas , Software , Relação Estrutura-Atividade , Algoritmos
16.
SAR QSAR Environ Res ; 22(3): 315-28, 2011 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-21598196

RESUMO

Mushrooms represent an unlimited source of compounds with anti-tumour and immunostimulating properties, and their intake has been shown to reduce the risk of breast cancer. A large number of low molecular weight (LMW) compounds present in mushrooms have been identified, including phenolic acids, flavonoids, tocopherols, carotenoids, sugars and fatty acids. In order to evaluate which wild mushroom LMW compounds may be involved in anti-breast cancer activity we selected a representative dataset of 43 LMW compounds and performed molecular docking against three known protein targets involved in breast cancer (aromatase, estrone sulfatase and 17ß-HSD-1) using AutoDock4 as docking software. The estimated inhibition constants for all LMW compounds were determined, and the potential structure-activity relationships for the compounds with the best estimated inhibition constants are discussed for each compound family. 4-O-caffeoylquinic, naringin and lycopene stand out as the top-ranked potential inhibitors for aromatase, estrone sulfatase and 17ß-HSD1, respectively, and the 3-D docked conformations for these compounds are discussed in detail. This information provides several interesting starting points for further development of aromatase, estrone sulfatase and 17ß-HSD1 inhibitors.


Assuntos
Agaricales/química , Antineoplásicos/química , Antineoplásicos/farmacologia , Neoplasias da Mama/tratamento farmacológico , Antineoplásicos/análise , Humanos , Simulação de Dinâmica Molecular , Peso Molecular , Redes Neurais de Computação
17.
Food Sci Technol Int ; 16(3): 209-16, 2010 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-21339136

RESUMO

The antioxidant properties of almond green husks (Cvs. Duro Italiano, Ferraduel, Ferranhês, Ferrastar and Orelha de Mula), chestnut skins and chestnut leaves (Cvs. Aveleira, Boa Ventura, Judia and Longal) were evaluated through several chemical and biochemical assays in order to provide a novel strategy to stimulate the application of waste products as new suppliers of useful bioactive compounds, namely antioxidants. All the assayed by-products revealed good antioxidant properties, with very low EC(50) values (lower than 380 µg/mL), particularly for lipid peroxidation inhibition (lower than 140 µg/mL). The total phenols and flavonoids contents were also determined. The correlation between these bioactive compounds and DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging activity, reducing power, inhibition of ß-carotene bleaching and inhibition of lipid peroxidation in pig brain tissue through formation of thiobarbituric acid reactive substances, was also obtained. Although, all the assayed by-products proved to have a high potential of application in new antioxidants formulations, chestnut skins and leaves demonstrated better results.


Assuntos
Antioxidantes/química , Fagaceae/química , Extratos Vegetais/química , Folhas de Planta/química , Prunus/química , Peroxidação de Lipídeos
18.
Phytomedicine ; 17(5): 333-8, 2010 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-19800777

RESUMO

Leishmanicide potential of Calophyllum brasiliense leaves on promastigote and amastigote of Leishmania (Leishmania) amazonensis is evaluated. The LD(50) of dichloromethane extract and hexane fraction for promastigotes was respectively 40 microg/ml and 20 microg/ml. In mouse peritoneal macrophages infected with Leishmania amastigotes the Infection Index decreased respectively 100% and 84.2% in 80 microg/ml and 40 microg/ml concentrations of dichloromethane extract. Hexane fraction decreased infection index respectively by 98.7% and 91.3% within the same concentrations. It was found that pretreatment with dichloromethane extract or with hexane fraction of experimentally infected BALB/c mice decrease the volume of the lesions by L. (L.) amazonensis. Moreover, animals treated topically also revealed healing lesions. Besides, the parasite load in the animals' popliteal lymph nodes was significantly reduced in treated animals, showing that plant components actually control infection. Results show that crude extract and hexane fraction of C. brasiliense reveal a significant in vitro and in vivo leishmanicide activity.


Assuntos
Antiparasitários/uso terapêutico , Calophyllum/química , Leishmania/efeitos dos fármacos , Leishmaniose/tratamento farmacológico , Macrófagos Peritoneais/efeitos dos fármacos , Fitoterapia , Extratos Vegetais/uso terapêutico , Animais , Antiparasitários/farmacologia , Feminino , Leishmaniose/patologia , Linfonodos/parasitologia , Macrófagos Peritoneais/parasitologia , Masculino , Camundongos , Camundongos Endogâmicos BALB C , Camundongos Endogâmicos C57BL , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Folhas de Planta
19.
SAR QSAR Environ Res ; 20(5-6): 579-90, 2009 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-19916116

RESUMO

Wild mushrooms have been described as sources of natural antioxidants, particularly phenolic compounds. However, many other compounds present in wild mushrooms can also act as antioxidants (reducers), so whole extracts from a wide range of species need to be examined. To gain further knowledge in this area, the relationship between the antioxidant potential (scavenging effect and reducing power) and chemical composition of twenty three samples from seventeen Portuguese wild mushroom species was investigated. A wide range of analytical parameters reported by our research group (including ash, carbohydrates, proteins, fat, monounsaturated fatty acids, polyunsaturated fatty acids, saturated fatty acids, phenolics, flavonoids, ascorbic acid and beta-carotene) were studied and the data were analysed by partial least squares (PLS) regression analysis to allow correlation of all the parameters. Antioxidant activity correlated well with phenolic and flavonoid contents. A QCAR (Quantitative Composition-Activity Relationships) model was constructed, using the PLS method, and its robustness and predictability were verified by internal and external cross-validation methods. Finally, this model proved to be a useful tool in the prediction of mushrooms' reducing power.


Assuntos
Agaricales/química , Antioxidantes/química , Antioxidantes/farmacologia , Antioxidantes/análise , Flavonoides/análise , Flavonoides/química , Flavonoides/farmacologia , Sequestradores de Radicais Livres/análise , Sequestradores de Radicais Livres/química , Sequestradores de Radicais Livres/farmacologia , Modelos Estatísticos , Oxirredução , Fenóis/análise , Fenóis/química , Fenóis/farmacologia , Estatística como Assunto
20.
Arq. bras. med. vet. zootec ; 61(1): 243-250, fev. 2009. tab
Artigo em Português | LILACS | ID: lil-513048

RESUMO

Avaliaram-se as variáveis técnicas e econômicas do sistema de produção em confinamento de 88 animais superprecoces (sete meses de idade) pertencentes a três grupos genéticos, com 23 animais Charolês x Nelore, 26 Red Angus x Nelore e 39 Abeerden Angus x Nelore. Foram registrados pesos no inicio do confinamento e ao abate, duração do confinamento, ganhos de peso no período e diário dos animais e, por meio de conceitos econômicos e operacionais, foram calculados os custos de produção. O modelo estatístico utilizado na análise das variáveis incluiu efeitos do grupo genético e do peso inicial como covariável. Não houve diferença entre grupos genéticos para peso ao abate e ganho de peso diário. A duração do confinamento foi menor para animais Charolês x Nelore (159 dias), intermediária para Red Angus x Nelore (170 dias) e maior para Abeerden Angus x Nelore (178 dias). Os custos total, operacional e variável da diária foram 1,02; 0,85 e 0,89 US$/dia, respectivamente. O confinador obteve lucro de 0,01 US$/kg e rentabilidade de 1,8 por cento/mês. Não houve diferenças (P>0,05) entre grupos genéticos para custos, receita, margens bruta e líquida, lucro e rentabilidade.


This experiment was carried out to evaluate technical and economic parameters for feedlot production system of 88 seven-month-old animals of three genetic groups (23 Charolais x Nellore, 26 Red Angus x Nellore, and 39 Aberdeen Angus x Nellore). Production traits (initial and slaughtering weights, number of days in feedlot, and total and daily weight gains) were recorded and costs were estimated using operational and economic concepts. The statistical model used to analyze the traits included the fix effect of genetic group and initial body weight as a covariate. No differences were observed among the genetic groups for slaughtering weight and daily weight gain. Number of days in feedlot was low for Charolais x Nellore (159 days), intermediate for Red Angus x Nellore (170 days), and high for Aberdeen Angus x Nellore (178 days) animals. Total, operational, and variable costs were 1.02; 0.85; and 0.89 US$/day. Farmer profit was 0.01 US$/kg and profitability/month was 1.78 percent. Significant differences among the genetic groups were not observed for cost, income, gross and net margins, profit, and profitability.


Assuntos
Animais , Masculino , Bovinos , Análise Custo-Benefício , Genética
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