A partial least squares and principal component regression study of quinone compounds with trypanocidal activity

A quantitative structure-activity relationship (QSAR) study of 19 quinone compounds with trypanocidal activity was performed by Partial Least Squares (PLS) and Principal Component Regression (PCR) methods with the use of leave-one-out crossvalidation procedure to build the regression models. The trypanocidal activity of the compounds is related to their first cathodic potential (Ep(c1)). The regression PLS and PCR models built in this study were also used to predict the Ep(c1) of six new quinone compounds. The PLS model was built with three principal components that described 96.50% of the total variance and present Q(2) = 0.83 and R-2 = 0.90. The results obtained with the PCR model were similar to those obtained with the PLS model. The PCR model was also built with three principal components that described 96.67% of the total variance with Q(2) = 0.83 and R-2 = 0.90. The most important descriptors for our PLS and PCR models were HOMO-1 (energy of the molecular orbital below HOMO), Q4 (atomic charge at position 4), MAXDN (maximal electrotopological negative difference), and HYF (hydrophilicity index).

A structure-activity relationship study of quinone compounds with trypanocidal activity

A set of 25 quinone compounds with anti-trypanocidal activity was studied by using the density functional theory (DFT) method in order to calculate atomic and molecular properties to be correlated with the biological activity. The chemometric methods principal component analysis (PCA), hierarchical cluster analysis (HCA), stepwise discriminant analysis (SDA), Kth nearest neighbor (KNN) and soft independent modeling of class analogy (SIMCA) were used to obtain possible relationships between the calculated descriptors and the biological activity studied and to predict the anti-trypanocidal activity of new quinone compounds from a prediction set. Four descriptors were responsible for the separation between the active and inactive compounds: T-5 (torsion angle), QTS1 (sum of absolute values of the atomic charges), VOLS2 (volume of the substituent at region B) and HOMO-1 (energy of the molecular orbital below HOMO). These descriptors give information on the kind of interaction that occurs between the compounds and the biological receptor. The prediction study was done with a set of three new compounds by using the PCA, HCA, SDA, KNN and SIMCA methods and two of them were predicted as active against the Trypanosoma cruzi. (c) 2005 Elsevier SAS. All rights reserved.

An electrode of the second kind for benzoate determination in medicinal syrups

This paper describes the construction of an electrode of the second kind, Pt\Hg\Hg-2(Bzt)(2)\graphite, sensitive to benzoate ion (Bzt). The electrode provides a near-Nernstian response (-58.19 mV/decade at 25 degrees C) to benzoate ion in the concentration range 1.11 x 10(-1) to 5.00 x 10(-4) M at pH 7.0 and ionic strength 0.500-3.00M, adjusted with NaClO4. The electrode is easily constructed, shows a fast response time, is low in cost, has excellent response stability, and has a lifetime greater than 24 months. which is much longer than those earlier reported for other systems. A further salient feature of the electrode is that perchlorate does not interfere in its response, which may be advantageous in the analysis of perchloric acid-treated samples. It was applied to the determination of sodium benzoate in some commercial expectorating medicinal syrups using the standard additions method. The results obtained by the proposed procedure compare very favorably with those obtained through the reference method recommended by the United States Pharmacopeia. (C) 1998 Academic Press.

Collagen type VI is a component of the extracellular matrix microfibril network of the prostatic stroma

Stroma-epithelium relationships are of great relevance in prostatic morphogenesis and physiology, However, little knowledge exists about either stromal cells or extracellular matrix composition and arrangement in this system, Ultrastructural analysis revealed the existence of a microfibrillar system which occupies large areas of the rat prostatic stroma, In this work, we have applied immunocytochemistry and an ATP treatment for the ultrastructural identification of collagen type VI microfibrils, aiming at examining its participation in the prostatic microfibrillar network. Immunocytochemistry was also extended to a human case of prostatic nodular hyperplasia, Both methods succeeded in identifying collagen type VI in the rat ventral prostate, Collagen type VI is evenly distributed throughout the stroma but mainly associated with the basal lamina, collagen fibrils, and around the stromal cells, the use of ATP treatment allowed for the discrimination between collagen type VI and elastin-associated microfibrils, and demonstrated that these two classes of microfibrils establish an extended, mixed, and open network. The same aspects of association with the basal lamina, with stromal cells (particularly with smooth muscle cells), and with fibrillar components of the stroma were observed in the human tissue, We suggest that the collagen type VI and elastin-associated microfibril system may be involved in the control of some aspects of cellular behavior and may also play a structural role, maintaining the organ integrity after the deformations occurring under smooth muscle contraction.

Medicinal plants' hosting ability for nematode meloidogyne javanica and m. incognita

Baida, F.C., D.C. Santiago, L. H. I. Vidal, L. C. Baida, C. T. Stroze. 2011. Medicinal Plants' Hosting Ability for Nematode Suitability Meloidogyne incognita and M. javanica. Nematropica 41: 150-153.Medicinal plants can be attacked by pests, diseases and nematodes, which can compromise the quality and quantity of their healing properties and their yield. The aim of this study was to analyse the reaction of 15 medicinal plant species to the nematode Meloidogyne spp. The seedlings were produced by seed germination or cuttings under greenhouse conditions. A completely random experimental pattern of 15 treatments and 10 replications was chosen for the study. The seedlings were inoculated with approximately 5000 eggs + J(2)/plant 20 days after planting. Plant height and fresh and dry leaf weight, were measured 60 days after planting. The roots were collected, thoroughly washed and stained with Philoxine B and then processed to extract the eggs to determine the reproduction factor. For M. incognita the results showed that Chamomile was susceptible with RF = 1,64 making it a good host, and the other plants were resistant (RF < 1), and for M. javanica that all the plants showed resistance (RF < 1), Myrrh, Rue and Balsam demonstrating immunity (RF = 0).

In Vitro Evaluation of the Genotoxic Activity and Apoptosis Induction of the Extracts of Roots and Leaves from the Medicinal Plant Coccoloba mollis (Polygonaceae)

Coccoloba mollis (Family Polygonaceae) is a medicinal plant popularly used in cases of memory loss, stress, insomnia, anemia, impaired vision, and sexual impotence, but the scientific literature, to date, lacks studies on the biological effects of this species, particularly with regard to cytotoxicity and induction of DNA damage. The aim of the present study was to assess in vitro (in hepatic HTC cells) ethanolic extracts of the roots and leaves of C. mollis for cytotoxicity, genotoxicity, and induction of apoptosis. For these evaluations the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) cytotoxicity assay, comet assay, micronucleus test with cytokinesis block, and an in situ test for detection of apoptotic cells with acridine orange staining were used. The results showed that the extract obtained from the roots of C. mollis is more cytotoxic than that obtained from the leaves and that the reduction in cell viability observed in the MTT assay was a result, at least in part, from the induction of apoptosis. Both extracts induced DNA damage at a concentration of 20 mu g/mL in the comet assay, but no genotoxicity was detected with any of the treatments carried out in the micronucleus test.

Amoebicidal compounds from medicinal plants.

A series of the natural constituents with amoebicidal activity isolated from several medicinal plants is shown. A list of the medicinal plants potentially active as amoebicide and/or against dysentery also is demonstrated. The present data grouping of the natural compounds and medicinal plants can be an important source of information for the selection of research plant material by the investigators interested in the discovery of new biologically active compounds as amoebicide.

Human chromosome aberrations induced in vitro by Paracoccidioides brasiliensis glycoproteic component (GP 43)

The in vitro cytogenetic effects of the 43-kDa molecular mass exocellular glycoproteic component (GP 43) from Paracoccidioides brasiliensis were studied in cultures from human lymphocytes. The sample included 10 healthy, white, non-smoking, non-related males (mean age of 31.3 ± 8.2 years). Besides the control, three concentrations of GP 43 (0.125, 1.25 and 5 μg/ml) were used. In each group, around 1000 cells were examined in search of chromosome aberrations, and 30,000 metaphases were analysed for the determination of the Mitotic Index. The authors conclude that GP 43 most probably causes inhibition of the cell cycle and aneugenic and clastogenic effects.

Further triterpenes, steroids and furocoumarins from Brazilian medicinal plants of Dorstenia genus (Moraceae)

The hexane-soluble fractions from the rhizomes or from the leaves from five Dorstenia (Moraceae) species (D. bahiensis Kl., D. bryoniifolia Mart ex. Miq., D. carautae C.C.Berg, D. cayapiaa Vell. and D. heringerii Car. & Val) were analysed by HRGC-MS (high-resolution gas chromatography - mass spectrometry). Pentacyclic triterpenes, steroids and furocoumarins were identified. HRGC-MS is shown to be a valuable tool for the analysis of terpenoidal compounds from Dostenia species. These compounds may be related to the folk utilization of Dorstenia species as antiophidicals.

Revisão de plantas Brasileiras com comprovado efeito hipoglicemiante no controle do diabetes mellitus

Plants have been used in the cure of diseases from the origins of the humanity. At present, in Brazil, the use is common because of the difficulty of access of part of the population to medical assistance. It is commonly believed that the medicinal plants of traditional use were already tested and ratified by the long-lasting use by the human species, being considered effective medicines, presenting no collateral effects, not needful, therefore, of evaluation. The miraculous self-medication with medicinal plants goes to the point of substituting therapies in serious diseases such as those of hypoglycemic or anti-diabetic effect. For the test of medicinal plants, it is necessary to consider the material quality to be tested, the plant component used, extraction method, dosage, and the experimental species used. Several plants have already had hypoglycemic effects proven experimentally. The objective of this paper was to accomplish a revision of Brazilian medicinal plants, used popularly, as hypoglycemics that had effects proven in animals and in humans.

Evaluation of antimicrobial activity of extracts of medicinal plants on three tomato phytopathogens

Antimicrobial activity of 45 extracts of medicinal plants were tested on Xanthomonas campestris pv. vesicatoria, Ralstonia solanacearum and Clavibacter michiganense subsp. michiganense. Some assays were done to verify the capability of these plants extrats to show an antibiosis. Five extracts (EAFQ, SM1, SM12, SM16, SA1) shown positive activity. The extract EAFQ expressed bactericide activity on C. michiganense. It suggests the possibility of using these actives substances in natura or as a model to synthesize industrialized products, intendind field utilization.

Espécies de uso medicinal popular nativas e introduzidas cultivadas em cinco municípios do estado do amazonas

The objective if this work was a survey of medicinal plants plus commonly cultivated in quintais in Amazon State, Brazil. The work was carried out in five counties at the Solimões/Amazonas and Negro Rivers, by questionnaires, interviews and collections of botanical materials, using the literature to define the geographic origins. It was showed 105 species of medicinal plants, with average of 13 per house. The Amazonian plants, in general wood plants, meaning 10,9 percent of the total of species that was survey, with predominance of the American continent plants out of Amazonian (38,2 per cent). The major group was herbaceous or shrubs exotic plants, aromatics. In general, the peoples unknown the origin of the species of medicinal plants that use day after day.

Non-mutagenic or genotoxic effects of medicinal aqueous extracts from the Agaricus blazei mushroom in V79 cells

Agaricus blazei Murill is a mushroom largely consumed due to its medicinal properties. Effects of aqueous extract from its lineage AB97/11 in 2 fruiting body development stages (closed and opened pileus) were evaluated on chinese hamster V79 cells using cytokinesis blocking micronucleus (CBMN) and comet assays. The cells were treated at 0.15% concentration of aqueous extract prepared at different temperatures: ice-cold (4°C), room temperature (21°C) and warm (60°C). The extracts were applied in mutagenicity and antimutagenicity protocols (simultaneous, pre-incubation and continuous). The results showed that the aqueous extracts of Agaricus blazei lineage AB97/11 obtained at the 3 temperatures and both development stages did not present mutagenic or antimutagenic effect in V79 cells either in CBMN or comet assay.

Coordinated, network-based research as a strategic component of science in Brazil

Scientific research plays a fundamental role in the health and development of any society, since all technological advances depend ultimately on scientific discovery and the generation of wealth is intricately dependent on technological advance. Due to their importance, science and technology generally occupy important places in the hierarchical structure of developed societies, and they receive considerable public and private investment. Publicly funded science is almost entirely devoted to discovery, and it is administered and structured in a very similar way throughout the world. Particularly in the biological sciences, this structure, which is very much centered on the individual scientist and his own hypothesis-based investigations, may not be the best suited for either discovery in the context of complex biological systems, or for the efficient advancement of fundamental knowledge into practical utility. The adoption of other organizational paradigms, which permit a more coordinated and interactive research structure, may provide important opportunities to accelerate the scientific process and further enhance its relevance and contribution to society. The key alternative is a structure that incorporates larger organizational units to tackle larger and more complex problems. One example of such a unit is the research network. Brazil has utilized such networks to great effect in genome sequencing projects, demonstrating their relevance to the Brazilian research community and opening the possibility of their wider utility in the future.

Caracterização biométrica e química da folha de Mentha pulegium x spicata (Lamiaceae)

The hybrid Mentha pulegium x spicata, also well-known as poejo de praia, it is a perennial, low plant, with fields, violet stem and opposite leaves, with lance format and sawed board, presenting characteristic smell. The objective of the present work was accomplish a study of the leaf anatomy, including a biometric study of tissue and quantitative analysis of secretory trichomes/mm2 and of stomata/mm2 in both faces of the epidermis, besides a chemical analysis of the essential oil. Histological permanent laminas were made for anatomical analysis of the leaf surface and also sheets of the impression to foliate for the count of the trichomes number and stomatas. The chemical studies were made through the extraction of the essential oil by hydrodistillation and analyzed in GC-MS. The capitate and peltates trichomes are present on both sides of the leaf, even so they prevail in the abaxial surface. The variance analysis show that there are significant differences for the number of capitate trichomes and tectores between the adaxial and abaxial surfaces, but they are not significant for the peltate trichoma. The analyzed of essential oil shows the presence of a majority component, trans piperitone epoxide, being it responsible for more than 80% of the relative composition in the essential oil.