Molecular docking studies and evaluation of the antiretroviral activity and cytotoxicity of the species Lafoensia pacari Saint-Hilaire.

Interest in antiviral plant species has grown exponentially and some have been reported to have anti-HIV properties. This research aims to perform the bio-guided phytochemical fractionation by antiretroviral activity of Lafoensia pacari stem barks. This in vitro experimental study involved the preparation of plant material, obtention of ethanolic extract, fractionation, purification, identification and quantification of fractions, acid-base extraction, nuclear magnetic resonance, HIV-1 RT inhibition test and molecular docking studies. From the bio-guided fractionation by the antiretroviral activity there was a higher activity in the acetanolic subfractions, highlighting the acetate subfraction - neutrals with 60.98% of RT inhibition and ellagic acid with 88.61% of RT inhibition and absence of cytotoxicity. The macrophage lineage cytotoxicity assay showed that the chloroform fraction was more toxic than the acetate fraction. The analysis of the J-resolved spectrum in the aromatic region showed a singlet at 7.48 and 6.93 ppm which was identified as ellagic acid and gallic acid, respectively. The 5TIQ enzyme obtained better affinity parameter with the ellagic acid ligand, which was confirmed by the HSQC-1H-13C spectra. Gallic acid was also favorable to form interaction with the 5TIQ enzyme, being confirmed through the HSQC-1H-13C spectrum. From the PreADMET evaluation it was found that ellagic acid is a promising molecule for its RT inhibition activity and pharmacokinetic and toxicity parameters.

Speciation of zinc in fish feed by size exclusion chromatography coupled to inductively coupled plasma mass spectrometry - using fractional factorial design for method optimisation and mild extraction conditions.

Zinc (Zn) is an element essential to all living organisms and it has an important role as a cofactor of several enzymes. In fish, Zn deficiency has been associated with impaired growth, cataracts, skeletal abnormalities and reduced activity of various Zn metalloenzymes. Fish meal and fish oil traditionally used in salmon feed preparation are being replaced by plant-based ingredients. Zinc additives are supplemented to salmon feed to ensure adequate Zn levels, promoting good health and welfare in Atlantic salmon (Salmo salar). The main objective of the present study was to evaluate Zn species found in an Atlantic salmon feed. This work describes a Zn extraction method that was optimized using a fractional factorial design (FFD), whereby the effect of six factors could be studied by performing only eight experiments. The effects of the type of extraction solution and its molar concentration, pH, presence of sodium dodecyl sulphate, temperature and extraction time on Zn extraction were investigated. Mild extraction conditions were chosen in order to keep the Zn species intact. Total Zn (soluble fractions and non-soluble fractions) was determined by inductively coupled plasma mass spectrometry (ICP-MS). The highest Zn recovery was obtained using 100 mM Tris-HCl, pH 8.5 at a temperature of 4 °C for 24 h where the total Zn in soluble fraction and non-soluble fraction was 9.9 ±â€¯0.2% and 98 ±â€¯6%, respectively. Zinc speciation analysis (on the soluble fractions) was further conducted by size exclusion inductively coupled plasma mass spectroscopy (SEC-ICP-MS). The SEC-ICP-MS method provided qualitative and semi-quantitative information regarding Zn species present in the soluble fractions of the feed. Four Zn-containing peaks were found, each with different molecular weights: Peak 1 (high molecular weight - ≥600 kDa), peak 2 and peak 3 (medium molecular weight - 32 to 17 kDa) were the least abundant (1-6%), while peak 4 (low molecular weight - 17 to 1.36 kDa) was the most abundant (84-95%).

Comercialização de Plantas Medicinais no Município de Arapiraca-AL / Medicinal Plants commercialization in the city of Arapiraca-AL

RESUMO O comércio de plantas medicinais em feiras livres faz parte da cultura de muitas cidades da região Nordeste do Brasil. Objetivou-se com esta pesquisa verificar a existência de padrões de comercialização de plantas medicinais nas feiras livres do município de Arapiraca-AL. A metodologia incluiu a realização de entrevistas semiestruturadas, aplicadas a vendedores de plantas medicinais, sendo estas gravadas em áudio após assinatura do Termo de Consentimento Livre e Esclarecido, as técnicas da observação direta, “bola de neve” e lista livre. Os informantes indicaram 42 plantas medicinais, tendo Fabaceae com maior destaque em número de espécies. Do total de espécies identificadas, a maior parte é nativa (82%) e o hábito predominante é o arbóreo. Este estudo revelou que a produção e comercialização de plantas medicinais possuem um padrão local, com as plantas adquiridas através de terceiros, não havendo um padrão mínimo de qualidade, sendo necessária a implantação de políticas públicas voltadas a capacitação destes profissionais, agregando valor ao saber popular sobre plantas medicinais.

ABSTRACT The marketing of medicinal plants in street fairs is part of the culture of many cities in the Northeast of Brazil. The aim of this study was to identify the marketing patterns of medicinal plants in Arapiraca-AL city. The methodologies involved semi-structured interviews, givento the merchants of medicinal plants, t after a Free and Clear Consent Form, by which the survey participants were aware of the risks and benefits of it and can stop it if necessary to judge, the interviews were recorded. Snow-ball and free list techniques were also used. The informants indicated 42 species; Fabaceae had the highest number of species. From the total of identified medicinal plants, 80% were native and the predominant habitat was arboreous. This study revealed that the production and marketing of medicinal plants has a local pattern, with the plants being acquired through outsourcing, and there is no minimum quality standard, requiring the implementation of public policies for the training of these professionals, adding value to the common knowledge of medicinal plants.

Extratos aquosos de inhame (Dioscorea rotundata Poirr. ) e de mastruz (Chenopodium ambrosioides L. ) no desenvolvimento da lagarta-do-cartucho-do-milho Spodoptera frugiperda (J. E. Smith, 1797) / Aqueous extracts of yam (Dioscorea rotundata Poirr. ) and chenopodium (Chenopodium ambrosioides L. ) in the development of fall armyworm Spodoptera frugiperda (J. E. Smith, 1797)

RESUMO: Estudou-se o efeito de extratos aquosos de inhame (0; 5; 10; e 20% p/p) e de mastruz (0; 2; 4; 6; 8 e 10% p/p) na biologia da lagarta-do-cartucho. Secções de folhas de milho foram mergulhadas por 30 segundos em soluções de cada concentração; após a secagem, colocou-se em cada secção uma lagarta recém-eclodida. Foram avaliadas a viabilidade e a duração das fases larval e pupal, peso e comprimento das lagartas e pupas. Em relação ao extrato de inhame, a concentração de 20% causou maior influência na fase larval, sendo a viabilidade reduzida para 12%, com duração de 7 dias, diferindo da testemunha com 17 dias. O extrato da mesma planta a 10% causou 48% de mortalidade. Em todas as concentrações esse extrato também afetou a fase de pupa; na testemunha, 85% das pupas foram viáveis, enquanto nos demais tratamentos a viabilidade não excedeu a 25%. Para o peso e comprimento das lagartas, os resultados não foram significativos. Para o mastruz, o extrato a 20% causou influência na fase larval com baixa viabilidade e mortalidade logo nos primeiros seis dias de avaliação. Outras concentrações de mastruz não deferiram entre si nas fases larval e pupal. Verificou-se que a alimentação das lagartas com folhas tratadas com mastruz diminuiu o peso das pupas.

ABSTRACT: The effect of aqueous extracts of yam (0, 5, 10, and 20% h/h) and chenopodium (0, 2, 4, 6, 8 and 10% h/h) on the biology of fall armyworm was studied. Sections of maize leaves were dipped for 30 seconds in solutions of each concentration; after the section dried, a recently hatched caterpillar was placed onto each treated section. The viability and duration of the larval and pupal stages and the weight and length of the caterpillars and pupae were evaluated. For yam, the extract at 20% concentration caused the greatest influence on the larval stage of the insect, significantly reducing larval viability to 12%, with 7 day larval stage duration, differing from the control at 17 days. The extract of the same plant at 10% caused 48% larval mortality. At all concentrations, that extract also affected the pupal stage; in the control, pupal viability was 85%, whereas for the other concentrations the viability did not exceed 25%. No significant differences were observed for the weight and length of caterpillars. For chenopodium, the extract at 20% concentration caused influence on the larval stage, as it showed the lowest viability, causing mortality in six days. Other chenopodium concentrations did not show differences for the larval and pupal stages. Feeding caterpillars with leaves treated with the extract of chenopodium decreased pupal weight.

In vitro biological screening of the anticholinesterase and antiproliferative activities of medicinal plants belonging to Annonaceae

The aim of this research was to investigate the antiproliferative and anticholinesterase activities of 11 extracts from 5 Annonaceae species in vitro. Antiproliferative activity was assessed using 10 human cancer cell lines. Thin-layer chromatography and a microplate assay were used to screen the extracts for acetylcholinesterase (AchE) inhibitors using Ellman's reagent. The chemical compositions of the active extracts were investigated using high performance liquid chromatography. Eleven extracts obtained from five Annonaceae plant species were active and were particularly effective against the UA251, NCI-470 lung, HT-29, NCI/ADR, and K-562 cell lines with growth inhibition (GI50) values of 0.04-0.06, 0.02-0.50, 0.01-0.12, 0.10-0.27, and 0.02-0.04 µg/mL, respectively. In addition, the Annona crassiflora and A. coriacea seed extracts were the most active among the tested extracts and the most effective against the tumor cell lines, with GI50 values below 8.90 µg/mL. The A. cacans extract displayed the lowest activity. Based on the microplate assay, the percent AchE inhibition of the extracts ranged from 12 to 52%, and the A. coriacea seed extract resulted in the greatest inhibition (52%). Caffeic acid, sinapic acid, and rutin were present at higher concentrations in the A. crassiflora seed samples. The A. coriacea seeds contained ferulic and sinapic acid. Overall, the results indicated that A. crassiflora and A. coriacea extracts have antiproliferative and anticholinesterase properties, which opens up new possibilities for alternative pharmacotherapy drugs.

In vitro biological screening of the anticholinesterase and antiproliferative activities of medicinal plants belonging to Annonaceae.

The aim of this research was to investigate the antiproliferative and anticholinesterase activities of 11 extracts from 5 Annonaceae species in vitro. Antiproliferative activity was assessed using 10 human cancer cell lines. Thin-layer chromatography and a microplate assay were used to screen the extracts for acetylcholinesterase (AchE) inhibitors using Ellman's reagent. The chemical compositions of the active extracts were investigated using high performance liquid chromatography. Eleven extracts obtained from five Annonaceae plant species were active and were particularly effective against the UA251, NCI-470 lung, HT-29, NCI/ADR, and K-562 cell lines with growth inhibition (GI50) values of 0.04-0.06, 0.02-0.50, 0.01-0.12, 0.10-0.27, and 0.02-0.04 µg/mL, respectively. In addition, the Annona crassiflora and A. coriacea seed extracts were the most active among the tested extracts and the most effective against the tumor cell lines, with GI50 values below 8.90 µg/mL. The A. cacans extract displayed the lowest activity. Based on the microplate assay, the percent AchE inhibition of the extracts ranged from 12 to 52%, and the A. coriacea seed extract resulted in the greatest inhibition (52%). Caffeic acid, sinapic acid, and rutin were present at higher concentrations in the A. crassiflora seed samples. The A. coriacea seeds contained ferulic and sinapic acid. Overall, the results indicated that A. crassiflora and A. coriacea extracts have antiproliferative and anticholinesterase properties, which opens up new possibilities for alternative pharmacotherapy drugs.

Abarema cochliacarpos reduces LPS-induced inflammatory response in murine peritoneal macrophages regulating ROS-MAPK signal pathway.

ETHNOPHARMACOLOGICAL RELEVANCE: Abarema cochliacarpos (Gomes) Barneby and Grimes (Fabaceae), known by the vulgar name of Babatenã, has been traditionally used in Northeast Brazil, as an anti-inflammatory remedy. Previous studies have demonstrated its anti-inflammatory and antiulcer effects in skin lesion, alcohol gastric ulcer and acute and chronic colitis. AIMS: The present study was designed to evaluate the antioxidant and anti-inflammatory effects of the butanolic fraction from A. cochliacarpos (BFAC) and its major flavonoid, (+)-catechin, in LPS-stimulated murine peritoneal macrophages. Moreover, we studied the role of mitogen-activated protein kinase (MAPK)s and NF-kB signaling pathways possibly involved in the beneficial effects. MATERIALS AND METHODS: The quantification of the extract was carried out by ultra-performance liquid chromatography analysis. Cell viability was determined using SRB assay. Nitric oxide (NO) production was analyzed by Griess method and intracellular reactive oxygen species (ROS) by fluorescence analysis. In addition, cyclooxygenase (COX-2) and inducible nitric oxide synthase (iNOS) expression, MAPK activation and IkappaBalpha (IKBα) degradation, were determined by Western blot. RESULTS: After BFAC characterization, (+)-catechin was revealed as its major constituent. Both BFAC and (+)-catechin, exerted significant anti-oxidant and anti-inflammatory effects inhibiting LPS-induced intracellular ROS and NO production in peritoneal macrophages. Additionally, the extract but also its major component reduced pro-inflammatory proteins expression probably through c-Jun N-terminal kinase and p38 MAPK signaling pathways. CONCLUSION: These data suggest that the beneficial effects of BFAC might be mediated, at least in part, by the presence of (+)-catechin. Conclusively our findings confirm the potential of A. cochliacarpos as a new therapeutic strategy for the management of inflammatory and oxidative stress-related diseases.

Utilização de plantas medicinais com atividade antimicrobiana por usuários do serviço público de saúde em Campina Grande - Paraíba / Use of medicinal plants with antimicrobial activity by users of the Public Health System in Campina Grande - Paraíba, Brazil

O estudo avalia a utilização de plantas medicinais com atividade antimicrobiana pelos usuários do Sistema Único de Saúde do município de Campina Grande- PB, Brasil. Trata-se de um estudo descritivo, transversal, com abordagem quantitativa, cuja amostra constituiu-se de 220 usuários conduzido no período de Agosto de 2008 a Janeiro de 2009. A pesquisa foi realizada através de um roteiro de entrevistas não estruturada. Dentre os participantes do estudo, 65,0% utilizavam plantas medicinais, das quais Punica granatum L., Anacardium occidentale L., e Stryphnodendron adstringens foram as mais citadas. Observou-se que houve prevalência do gênero feminino na utilização. A maioria dos indivíduos obtém plantas medicinais no comércio local utilizando-as por indicação de familiares. Foi observado que 5,0% dos entrevistados afirmam já ter sofrido algum evento adverso decorrente do uso de plantas medicinais. Assim sugere-se que as informações sobre o uso da flora medicinal adquiridas nas comunidades locais, combinadas a estudos químicos/farmacológicos realizados em laboratórios especializados e a capacitação da equipe de saúde favorecerá a implementação da Portaria nº 971/2006, que tem como objetivo a garantia de acesso a plantas medicinais e fitoterápicos com segurança, eficácia e qualidade.

This study evaluates the use of medicinal plants with antimicrobial activity by users of the Unified Health System in Campina Grande Municipality, Paraíba, Brazil. This is a descriptive and transversal study with a quantitative approach, the sample of which consisted of 220 users, and was carried out from August 2008 to April 2009. The research was developed through an unstructured interview process. Among the study participants, 65.0% used medicinal plants, of which Punica granatum L., Anacardium occidentale L. and Stryphnodendron adstringens were most cited. There was prevalence of females. Most individuals obtain medicinal plants in the local market, using them as suggested by relatives. Results indicated that 5.0% of the interviewees stated to have suffered adverse event resulting from the use of medicinal plants. Thus, information about the use of medicinal plants, acquired in local communities, combined to chemical/pharmacological studies performed in specialized laboratories and the qualification of health professionals, will favor the implementation of Decree no. 971/2006, which aims to ensure access to medicinal plants and herbal medicines with safety, efficacy and quality.

Anatomia dos órgãos vegetativos de Hymenaea martiana Hayne (Caesalpinioideae-Fabaceae): espécie de uso medicinal em Caetité-BA / Anatomy of vegetative organs of Hymenaea martiana Hayne (Fabaceae-Caesalpinioideae): a species of medicinal use in Caetité-Bahia State, Brazil

Hymenaea martiana Hayne (Fabaceae-Caesalpinioideae) apresenta grande valor na medicina popular em Caetité. A casca, entrecasca do caule e a resina, são utilizadas no tratamento de diversos males. Neste estudo são apresentadas a caracterização anatômica e histoquímica dos órgãos vegetativos. Amostras foram coletadas e processadas segundo técnicas usuais em anatomia vegetal e histoquímica. Todos os órgãos apresentam, em visão transversal, epiderme unisseriada e cavidades secretoras. Cutícula espessa ocorre em todos os órgãos aéreos. A raiz é tetrarca. Colênquima lacunar foi encontrado no caule. Bainha de fibras esclerenquimáticas envolve os feixes vasculares dos órgãos aéreos. Células pétreas ocorrem no pecíolo. Tricomas tectores ocorrem em ambas as faces da folha. A folha é hipoestomática com estômatos paracíticos e o mesofilo é dorsiventral. Cristais de oxalato de cálcio ocorrem no caule, pecíolo e lâmina foliar. Compostos fenólicos ocorrem na raiz, pecíolo e nervura central da folha. Grãos de amido ocorrem na raiz, caule e pecíolo. Lipídios ocorrem em todos os órgãos. Acredita-se que compostos fenólicos e cavidades secretoras de resina podem justificar a utilidade medicinal da espécie pela população de Caetité.

Hymenaea martiana Hayne (Fabaceae-Caesalpinioideae) shows a great value in folk medicine in Caetité. Its bark, stem-bark and resin are used to treat various ailments. In this study, the anatomical and histochemical characterization of vegetative organs is reported. Samples were collected and processed according to usual techniques of plant anatomy and histochemistry. All organs have, by cross-sectional view, uniseriate epidermis and secretory cavities. Thick cuticle occurs in all aerial organs. The root is tetrarch. Lacunar collenchyma was found in the stem. Sclerenchymatic sheath of fibers surrounds the vascular bundles of the aerial organs. Stone cells occur in the petiole. Trichomes occur on both sides of the leaves. The leaf is hypostomatic with paracytic stomata and the mesophyll is dorsiventral. Calcium oxalate crystals occur in the stem, petiole and leaf blade. Phenolic compounds occur in the root, petiole and midrib of the leaf. Starch grains occur in the root, stem and petiole. Lipids occur in all organs. It is believed that phenolic compounds and resin secretory cavities may justify the use of medicinal species by the population of Caetité.

Intracellular calcium mobilization as a target for the spasmolytic action of scopoletin.

The coumarin scopoletin was isolated in a pure form from the roots of Brunfelsia hopeana Benth. (Solanaceae). In isolated rat aortic rings, scopoletin (26-520 microM) inhibited to approximately the same extent the contractions induced by a variety of substances, including phenylephrine, potassium chloride, serotonin and PGF(2) (alpha). The effect of the coumarin on phenylephrine-induced contractions was not affected by endothelium removal or NO-synthase blockade by L-NAME (100 microM). Scopoletin (78 - 590 microM) antagonized in a concentration-dependent manner (IC(50) = 300 +/- 20 microM, n = 5), transient contractions in Ca(2+)-free media induced by noradrenaline, but not those induced by caffeine. Also, scopoletin did not interfere with the refilling of noradrenaline-sensitive intracellular calcium stores. It is suggested that the non-specific spasmolytic action of scopoletin can be attributed, at least in part, to its ability to inhibit the intracellular calcium mobilization from the noradrenaline-sensitive stores.

Bowdenol, a new 2,3-dihydrobenzofuran constituent from Bowdichia virgilioides.

From the stem bark of Bowdichia virgilioides, lupeol, lupeol acetate, sitosterol, stigmasterol and methyl-3-[2-(1-hydroxymethylvinyl)-2,3-dihydrobenzo[b]furan-5-yl]-(E)-2-propenoate have been isolated. The latter is a new compound and it has been named as bowdenol. Their structures were elucidated with the aid of spectroscopic techniques, mostly 1 and 2D NMR. The biogenetic pathway for bowdenol has been suggested.

Krametosan, a new trinorlignan from the roots of Krameria tomentosa.

A new phenylcoumarone type trinorlignan, krametosan (1), along with the known norlignans, ratanhiaphenol I (2) and 2-(2'-hydroxy-4',6'-dimethoxyphenyl)-5-(E)-propenylbenzofuran (3), the lignan conocarpan (4) and dinorlignan decurrenal (5), were isolated from the CHCl3 extract of the roots of Krameria tomentosa. The structure of these compounds were elucidated by the spectroscopic methods.

Muscarinic agonist properties of the hydrobutanol extract from aerial parts of Waltheria viscosissima St. Hil. (Sterculiaceae) in rats.

The cardiovascular effects of the hydrobutanol phase of the ethanolíc extract from the aerial parts (HBWV) of Waltheria viscosissima A. St. Hil. (Sterculiaceae) were tested in rats by using a combined (in vivo and in vitro) approach. HBWV (5, 7.5, 10, 15 and 20 mg/kg, randomly) induced a significant and dose-dependent hypotension and bradycardia in conscious freely moving normotensive rats. Both hypotensive and bradycardic effects evoked by a submaximal dose of HBWV (10 mg/kg) were inhibited by pre-treatment of the animals with atropine (2 mg/kg, i.v.). In anaesthetized animals, electrocardiogram recordings revealed second and third degree sinoatrial and atrioventricular blockade induced by the extract (10 mg/kg, i.v.), which were inhibited by cardiac muscarinic blockade (atropine, 2 mg/kg, i.v.). In isolated rat aortic rings, increasing concentrations of HBWV (50, 100, 200 and 400 micrograms/mL) were able to antagonize the contractile effects of noradrenaline (1 microM). This effect was inhibited by pre-incubation of the aortic rings with atropine (1 microM), by removal of the vascular endothelial tissue or by nitric oxide synthase blockade. These results suggest that both cardiac and peripheral actions induced by HBWV are probably mediated by stimulation of cardiac and endothelial muscarinic receptors, respectively.

A randomized controlled trial to evaluate the effectiveness of homeopathy in rheumatoid arthritis.

Forty-four patients with active Rheumatoid Arthritis were entered into a 6-month double-blind trial comparing homeopathy and placebo. The treatments were generally equally effective in most assessments. Statistically significant improvements were produced, however, in 3 of 5 and 2 of 5 results respectively assessed in homeopathic and placebo treated groups. There was no statistically significant difference between groups. Adverse effects were scarcely and comparably reported in both groups and did not require a change in therapy.