Methoxylated flavonols from Vellozia dasypus Seub ethyl acetate active myeloperoxidase extract: in vitro and in silico assays.

This study aimed to evaluate the effect of a methoxylated fraction from Vellozia dasypus Seub on myeloperoxidase (MPO)-chlorinating activity and subsequent in silico assays for binding profile prediction. Therefore, the ethyl acetate extract of aerial parts from Vellozia dasypus Seub was fractionated on open-column chromatography containing SiO2 and eluted with solvent in crescent polarity to yield a fraction with a mixture of flavonols quercetin 3-O-methyl ether (1) and 6-C-methyl quercetin 3-O-methyl ether (2). Their chemical structures were proposed by HPLC coupled to photodiode array (HPLC-DAD) and mass spectrometer using electrospray ionization multistage analysis (HPLC-MS/MS). The fraction enriched with compounds 1 and 2 inhibited more efficiently the in vitro MPO-chlorinating activity (IC50 = 40 µg/mL) than the ethyl acetate extract (IC50 = 64.0 µg/mL). Molecular docking studies revealed that these compounds interact with MPO active pocket similarly to trifluoromethyl-substituted aromatic hydroxamate, a well-known MPO inhibitor, co-crystallized at the MPO binding site (PDB ID: 4C1M). Molecular dynamics trajectories confirmed that these two molecules interact with the MPO binding site with a similar energetic pattern when compared to the crystallographic ligand. Taken together, these data expand the sources of phenolic natural compounds that may be further investigated against inflammation-related diseases. Communicated by Ramaswamy H. Sarma.

Thermal shift assays of marine-derived fungal metabolites from Aspergillus fischeri MMERU 23 against Leishmania major pteridine reductase 1 and molecular dynamics studies.

Marine-derived fungi are a promising source of bioactive molecules, especially species from extreme habitats. Although several secondary metabolites such as meroterpenoids and alkaloids have been isolated from cultures of Aspergillus fischeri, obtained from terrestrial habitats, there is no report on compounds isolated from marine-derived strains. Many metabolites isolated from marine-derived fungi exhibited a myriad of biological activities. Marine natural products have shown to be an important source of bioactive compounds and can assist in the discovery of molecules with affinity against validated targets from exclusive strains of parasites of medical importance such as pteridine reductase 1 (PTR1), from Leishmania major, which is essential for cell growth. Leishmaniasis is responsible for approximately 65,000 annual deaths. Despite the mortality data, drugs available for the treatment of patients are insufficient and have moderate therapeutic efficacy in addition to serious adverse effects, which make the development of new drugs urgent. The previously described aszonalenin (ASL), aszonapyrone A (ASP), acetylaszonalenin (ACZ), and helvolic acid (HAC) were isolated from the ethyl acetate extract of the culture of a marine sponge-associated A. fischeri MMERU 23 and their affinities against PTR1 were determined by ThermoFluor®. Among the tested compounds, only ACZ showed dose-dependent affinity against PTR1. Moreover, complementary molecular dynamics studies (t = 100 000 ps) have showed that this molecule performs hydrogen bonds with key residues at the active site for more than 60% of the productive trajectory time. The results indicate that ACZ could be a promising PTR1 inhibitor and a potential candidate for development of antileishmanial drug.Communicated by Ramaswamy H. Sarma.

Genetic diversity in two threatened species of guitarfish (Elasmobranchii: Rhinobatidae) from the Brazilian and Argentinian coasts: an alert for conservation

The guitarfishes Pseudobatos horkelii and Pseudobatos percellens meet the criteria for threatened status as Critically Endangered (CR) and Endangered (EN), respectively. Both species occur in the Southern Atlantic Ocean. Considering the lack of data on the genetic structure of these species, the present study evaluated the genetic variability and population structure of the P. horkelii and P. percellens in the southern region of Brazil and the northern coast of Argentina, based on sequences of mitochondrial DNA, Control Region (D-loop). Samples of P. horkelii (n = 135) were analyzed in six localities situated in Northern Argentina, along the Brazilian states' coast. The mean of nucleotide diversity was 0.0053, the ΦST was 0.4277 and demographic analysis of P. horkelii suggests the existence of stability of the populations, with D = 0.9929, FS = 2.0155, SSD = 0.0817, R = 0.2153. In P. percellens (n = 101) were analyzed from six Brazilian localities along the coast of Santa Catarina, Paraná, and São Paulo. The mean nucleotide diversity was 0.0014 and ΦST value of 0.2921, the demographic analysis indicates a high migration rate of P. percellens among the localities evaluated, with D = 0.5222, FS = 0.3528, SSD = 0.01785, R = 0.3890.(AU)

As raias violas Pseudobatos horkelii e Pseudobatos percellens, são listados como "Criticamente em Perigo" (CR) e "Em Perigo" (EN), respectivamente. Ambas as espécies ocorrem no Sul do Oceano Atlântico. Considerando a falta de dados sobre a estrutura genética dessas espécies, o presente estudo avaliou a variabilidade genética e a estrutura populacional de P. horkelii e P. percellens na região sudeste do Brasil e litoral norte da Argentina, com base em sequências de DNA mitocondrial, região de controle (D-loop). Amostras de 135 indivíduos de P. horkelii analisados em seis localidades, situadas no norte da Argentina e ao longo da costa dos estados brasileiros. A média da diversidade nucleotídica foi de 0.0053, o índice ΦST foi de 0.4277 e a análise demográfica de P. horkelii, indicou a existência de estabilidade das populações, com D = 0.9929, Fus = 2.0155, SSD = 0.0817, R = 0.2153. Em 101 exemplares de P. percellens, foram analisados em seis localidades brasileiras ao longo do litoral de Santa Catarina, Paraná e São Paulo. A diversidade nucleotídica média foi de 0.0014 e o valor ΦST de 0.2921, a análise demográfica indicou uma alta taxa de migração de P. percellens entre as localidades analisadas, com D = 0.5222, FS = 0.3528, SSD = 0.01785, R = 0.3890.(AU)

Genetic diversity assessment for the vulnerable migratory cownose ray Rhinoptera bonasus (Myliobatiformes: Rhinopteridae) from the southwestern Atlantic Ocean

ABSTRACT Rhinoptera bonasus is a bento-pelagic and highly migratory species occurring from southern United States to northern Argentina. Due to overfishing effects, R. bonasus is currently at risk, classified by the IUCN Red List as vulnerable. Considering the lack of molecular data available for R. bonasus, this study aimed to describe the genetic variability and population structure of specimens sampled from three Brazilian coast ecoregions (Amazon ecoregion, Pará; Northeastern ecoregion, Pernambuco and Southeastern ecoregion, Rio de Janeiro, São Paulo and Santa Catarina), through five polymorphic microsatellite markers. Here testing the panmixia hypothesis for Brazilian ecoregions and test natal philopathy. A total of 69 analyzed specimens revealed individual and significant genetic differentiation between the sampled locations. ST (0.12), PCA, DAPC and Bayesian analyses of the genetic population structure revealed at least two distinct genetic R. bonasus groupings. IBD tests were significant, indicating a correlation between genetic and geographical distance among populations, which can be explained by reproductive philopatric behavior. Philopatric behavior associated with R. bonasus mobility may influence the differentiation values observed for all loci in the investigated samples.

RESUMO Rhinoptera bonasus é uma espécie bento-pelágica e altamente migratória, que ocorre do sul dos Estados Unidos ao norte da Argentina. Devido aos efeitos da sobrepesca, R. bonasus está atualmente em risco, classificada pela Lista Vermelha da IUCN como vulnerável. Considerando a falta de dados moleculares disponíveis para R. bonasus, este estudo teve como objetivo descrever a variabilidade genética e estrutura populacional de espécimes amostrados em três ecorregiões do litoral brasileiro (Ecorregião Amazônica, Pará; Ecorregião Nordeste, Pernambuco e Ecorregião Sudeste, Rio de Janeiro, São Paulo e Santa Catarina), por meio de cinco marcadores microssatélites polimórficos. Assim, testaremos as hipóteses de panmixia e filopatria natal. Um total de 69 espécimes analisados revelou diferenciação genética individual e significativa entre os locais amostrados. As análises de ST (0,12), PCA, DAPC e Bayesiana revelaram pelo menos dois agrupamentos genéticos distintos de R. bonasus. Os testes de IBD foram significativos, indicando uma correlação entre a distância genética e geográfica entre as populações, o que pode ser explicado pelo comportamento filopátrico reprodutivo. O comportamento filopátrico associado à mobilidade de R. bonasus pode influenciar os valores de diferenciação observados para todos os loci nas amostras investigadas.

Contrasting the Genetic Patterns of Microbial Communities in Soda Lakes with and without Cyanobacterial Bloom.

Soda lakes have high levels of sodium carbonates and are characterized by salinity and elevated pH. These ecosystems are found across Africa, Europe, Asia, Australia, North, Central, and South America. Particularly in Brazil, the Pantanal region has a series of hundreds of shallow soda lakes (ca. 600) potentially colonized by a diverse haloalkaliphilic microbial community. Biological information of these systems is still elusive, in particular data on the description of the main taxa involved in the biogeochemical cycling of life-important elements. Here, we used metagenomic sequencing to contrast the composition and functional patterns of the microbial communities of two distinct soda lakes from the sub-region Nhecolândia, state of Mato Grosso do Sul, Brazil. These two lakes differ by permanent cyanobacterial blooms (Salina Verde, green-water lake) and by no record of cyanobacterial blooms (Salina Preta, black-water lake). The dominant bacterial species in the Salina Verde bloom was Anabaenopsis elenkinii. This cyanobacterium altered local abiotic parameters such as pH, turbidity, and dissolved oxygen and consequently the overall structure of the microbial community. In Salina Preta, the microbial community had a more structured taxonomic profile. Therefore, the distribution of metabolic functions in Salina Preta community encompassed a large number of taxa, whereas, in Salina Verde, the functional potential was restrained across a specific set of taxa. Distinct signatures in the abundance of genes associated with the cycling of carbon, nitrogen, and sulfur were found. Interestingly, genes linked to arsenic resistance metabolism were present at higher abundance in Salina Verde and they were associated with the cyanobacterial bloom. Collectively, this study advances fundamental knowledge on the composition and genetic potential of microbial communities inhabiting tropical soda lakes.

Psychocultural Mechanisms of the Propensity toward Criminal Homicide: A Multidimensional View of the Culture of Honor.

Introduction: Theory of the Culture of Honor is one of the few models in criminology specifically geared toward homicide. It proposes that, in certain societies, men must never show weakness and are required to react violently to any perceived threats to their reputation, thereby increasing their probability of committing a homicide. This has been suggested as the main explanation for the high rates of this type of crime in Brazil, particularly in the Northeast. Underlying this explanation there are complex mechanisms and processes that have yet to be clarified. Objectives: The present research aimed to investigate the workings of the possible psychocultural mechanisms underlying the culture of honor and the process through which they might affect the individual propensity toward homicide. Methods: A total of 336 Brazilian adults were assessed regarding a broad range of sociodemographic, psychological, and sociocultural variables, including their attitudes toward homicide. The resulting dataset was analyzed using Smallest Space Analysis and Facet Theory. Results: It seems that certain cultural elements associated to traditional masculinity and enhanced anger tend to promote negative personality traits and increase one's propensity toward committing homicide. Conclusion: The findings obtained not only confirm the Theory of the Culture of Honor for the propensity toward homicide, but also explicit and clarify some of the psychocultural processes and mechanisms involved, suggesting a new scientific framework.

What Is Your Faction? Multidimensional Evidence for the Divergent Series As the Basis for a New Model of Personality and Work Life.

Introduction: The successful "Divergent" sci-fi trilogy by writer Veronica Roth portrays a dystopian and post-apocalyptic society where the population is divided into five groups called "Factions," each with a specific social role and associated to a specific set of psychological traits. Though fictional, such typology is compelling and may provide a significant contribution to personality studies. Objectives: To investigate the accuracy of the classification of psychological and sociocultural traits into five Factions as described in Divergent and their potential practical usefulness for understanding work life choices and experiences in organizations. Method: A total of 217 Brazilian adult men and women of various ages, socioeconomic status and ethnicities were submitted to measures of several psychological and sociocultural variables, as well as of how strongly they supposedly manifest each Faction. The resulting dataset was studied using Smallest Space Analysis (SSA) and Facet Theory. Results: The Factions were shown not only to be associated to psychological variables in ways consistent with the descriptions from Divergent, but also to be related to specific aspects of one's work life in organizations. Conclusion: The five Factions conceived by Roth appear to constitute an original set of constructs that are psychologically valid and, at the same time, of practical use in predicting work life choices and experiences. This justifies engaging in future empirical and theoretical work toward a new scientific model of potential practical value.