Estudios de acoplamiento molecular de nuevos análogos de quinolonas a la ADN girasa de Escherichia coli

Indexación: Scopus.Chemicals and CAS Registry Numbers: amino acid, 65072-01-7; ciprofloxacin, 85721-33-1; DNA topoisomerase (ATP hydrolysing); gatifloxacin, 112811-59-3, 180200-66-2; levofloxacin, 100986-85-4, 138199-71-0; lomefloxacin, 98079-51-7; moxifloxacin, 151096-09-2; nalidixic acid, 389-08-2; oxolinic acid, 14698-29-4; pipemidic acid, 51940-44-4; rufloxacin, 101363-10-4; sitafloxacin, 127254-12-0, 163253-35-8Context: Bacterial resistance to antibiotics is the inevitable consequence of the use of antimicrobial agents. Thus, quinolones are an important class of antibacterials; these agents generally consist of a 1-subtituted-1,4-dihydro-4-oxopyridine-3-carboxylic acid moiety combined with an aromatic or heteroaromatic ring fused at the 5- and 6-position. Aims: To determine the binding of quinolones to DNA gyrase of Escherichia coli. Methods: An analysis was performed using an in silico approach to determine, by docking calculations and energy descriptors, the conformer of 4‐oxo‐1,4‐dihydroquinoline skeleton that forms the most stable complex with DNA gyrase of E. coli. Results: The complex shows that the pose of the quinolones coincides with the amino acid residues Asp87, Thr88, Arg91 and Met92, which is expected to be critical in the binding of quinolones to DNA gyrase of E. coli. A series of quinolones were computationally designed, and the interactions between the quinolones and the amino acid residues of the DNA gyrase were calculated. Conclusions: Among the designed compounds, compounds 105 and 115 exhibit higher binding energy values and interact with amino acids Asp87, Thr88, Arg91 and Met92. © 2018 Journal of Pharmacy & Pharmacognosy Research.http://jppres.com/jppres/pdf/vol6/jppres18.368_6.5.386.pd

Scalar-tensor theory with EGB term from Einstein Chern-Simons gravity

It is shown that the compactification a la Randall Sundrum of the so called, five dimensional Einstein Chern Simons action gravity leads to an action for a four dimensional scalar tensor gravity that includes a Gauss Bonnet term, which belongs to a particular case of the action of the Horndeski theory. The five dimensional action includes new gravitational degrees of freedom that were introduced requiring that the action be invariant under symmetries greater than the usual Poincare or (A)dS symmetries, namely the so called generalized Poincare algebras B5.Comment: To be published in Nucl. Phys.

Narrow oviposition preference of an insect herbivore risks survival under conditions of severe drought

1. Understanding species' habitat preferences are crucial to predict organisms' responses to the current climate crisis. In many insects, maternal habitat selection for oviposition essentially determines offspring performance. Whether future changes in climatic conditions may generate mismatches between oviposition preference and offspring performance, when mothers continue to prefer microhabitats that might threaten offspring survival, is an open question. 2. To address this gap, we tested if oviposition preferences of the Glanville fritillary butterfly Melitaea cinxia females put offspring at risk when plants are under drought stress conditions. Mainly, we focus on identifying the microhabitat determinants for oviposition and the variation of conditions experienced by the sessile offspring, using field observations from 12 populations collected over 2015–2018. These data are combined with 10 years of larval nest and precipitation data to understand within-population patterns of habitat selection. We tested whether the preferred microhabitats maximized the extended larval performance (i.e. overwinter survival). 3. We found that females preferentially oviposited in microhabitats with higher host plant abundance and higher proportion of host plants with signs of drought stress. In most years, larval nests had higher survival in these drought-stressed microhabitats. However, in an extremely dry year, only two nests survived over the summer. 4. Our results highlight that a failure to shift habitat preference under extreme climate conditions may have drastic consequences for the survival of natural populations under changing climatic conditions.Peer reviewe

Novel starch-based scaffolds for bone tissue engineering : cytotoxicity, cell culture, and protein expression

Starch-based biomaterials and scaffolds have been proposed for several biomedical applications. In the present work new scaffolds based on a 50/50 (wt%) blend of corn starch/ethylene-vinyl alcohol (SEVA-C) were studied. These scaffolds were processed by a melt-based technology, which has been used before with other starch-based materials but never with SEVA-C. Scanning electron microscopy (SEM) observation showed that the developed porous structures were 60% porous with pore size between 200 and 900 μm and a reasonable degree of interconnectivity. Moreover, scaffolds presented a compressive modulus of 117.50 ± 3.7 MPa and a compressive strength of 20.8 ± 2.4 MPa. Cytotoxicity evaluation was performed according to ISO/EN 10993 part 5 guidelines, and revealed that the developed scaffolds were nontoxic and did not inhibit cell growth. Direct contact assays were also carried out by use of a cell line of human osteoblast-like cells (SaOS-2). Cells were seeded (3 × 105 per scaffold) and allowed to grow for 4 weeks at 37°C, in a humidified atmosphere containing 5% CO2. Total protein assay showed that the cells were able to grow for the 4 weeks of the experiment. These data were further confirmed by SEM. Moreover, a cell viability assay (MTS test) demonstrated that cells were perfectly viable after the 4 weeks of culture, showing the adequacy of the developed structure in supporting them. Finally, Western blot analysis revealed that osteopontin was being actively expressed by the cells, which, in association with collagen deposition observed by SEM, seems to indicate that bone extracellular matrix was being deposited. Consequently it is believed that starch-based scaffolds should be considered as an alternative for bone tissue-engineering applications in the near future.Fundação para a Ciência e Tecnologia (FCT

Bone tissue engineering : state of the art and future trends

Although several major progresses have been introduced in the field of bone regenerative medicine during the years, current therapies, such as bone grafts, still have many limitations. Moreover, and in spite of the fact that material science technology has resulted in clear improvements in the field of bone substitution medicine, no adequate bone substitute has been developed and hence large bone defects/injuries still represent a major challenge for orthopaedic and reconstructive surgeons. It is in this context that TE has been emerging as a valid approach to the current therapies for bone regeneration/substitution. In contrast to classic biomaterial approach, TE is based on the understanding of tissue formation and regeneration, and aims to induce new functional tissues, rather than just to implant new spare parts. The present review pretends to give an exhaustive overview on all components needed for making bone tissue engineering a successful therapy. It begins by giving the reader a brief background on bone biology, followed by an exhaustive description of all the relevant components on bone TE, going from materials to scaffolds and from cells to tissue engineering strategies, that will lead to engineered bone.Portuguese Foundation for Science and Technology through funds from POCTI and/or FEDER programs

Variabilidade genética em acessos e cultivares de quatro espécies de Brachiaria estimada por marcadores RAPD.

A importância do gênero Brachiaria para o desenvolvimento da pecuária nas regiões tropicais e subtropicais é notória. Brachiaria brizantha, Brachiaria decumbens, Brachiaria ruziziensis e Brachiaria humidicola estão entre as principais espécies utilizadas como forrageiras e fazem parte do programa de melhoramento da Embrapa Gado de Corte. Neste trabalho, a técnica de Random Amplified Polymorphic DNA (RAPD) foi utilizada para estimar a variabilidade genética em 14 genótipos dessas quatro espécies, incluindo cultivares e acessos utilizados como genitores em cruzamentos inter e intra-específicos. Foram utilizados 47 primers que amplificaram 396 bandas, escoradas como "1" para presença e "0" para ausência, e uma matriz de similaridade genética foi construída usando o coeficiente de Jaccard. Os valores de similaridade genética variaram de 0,49 a 0,87, dos quais os acessos mais similares (C48 e B105) pertencem à mesma espécie, B. brizantha. As cultivares B. brizantha cv. Marandu e B. humidicola cv. BRS Tupi foram as mais divergentes. As análises de agrupamento obtidas pelos métodos Unweighted Pair-group Method with Arithmetical Average (UPGMA) e de Tocher foram similares, dividindo os acessos em quatro grupos que correspondem às espécies estudadas. O dendrograma obtido com o método UPGMA mostrou que B. brizantha, B. decumbens e B. ruziziensis são geneticamente mais próximas entre si do que B. humidicola. Além disso, este trabalho possibilitou a identificação de primers que podem ser utilizados com a finalidade de identificação precoce de híbridos quando esses genótipos forem utilizados como genitores.bitstream/CNPGC-2009-09/12399/1/BP24.pd

Induced scalarization in boson stars and scalar gravitational radiation

The dynamical evolution of boson stars in scalar-tensor theories of gravity is considered in the physical (Jordan) frame. We focus on the study of spontaneous and induced scalarization, for which we take as initial data configurations on the well-known S-branch of a single boson star in general relativity. We show that during the scalarization process a strong emission of scalar radiation occurs. The new stable configurations (S-branch) of a single boson star within a particular scalar-tensor theory are also presented.Comment: 18 pages, 11 figures. Minor changes to match the published versio