Pharmacophore modeling,docking and molecular dynamics to identify <Emphasis Type="Italic">Leishmania major</Emphasis> farnesyl pyrophosphate synthase inhibitors

Leishmaniasis is caused by protozoa of the genus Leishmania spp. and is considered the second most important protozoa in the world due to the number of cases and mortality. Despite its importance in terms of public health, the treatment of patients is limited and has mostly low levels of efficacy and safety. Farnesyl pyrophosphate synthase (FPPS) acts in the early stages of isoprenoid synthesis, and is important for maintaining the integrity of the lipid bilayer of the parasite that causes the disease. The aim of this work was to identify one potential inhibitor of the FPPS of Leishmania major through virtual screening by pharmacophore modeling and docking. A total of 85,000 compounds from a natural products database (ZINC¹⁵) was submitted for virtual hierarchical screening, and the top ranked molecule in both methods was analyzed by intermolecular interaction profile and 20 ns molecular dynamics simulations. These results showed a promising compound from natural products that mimic the major interactions present in the substrate/inhibitor.     

Prospective Serosurvey of <Emphasis Type="Italic">Coxiella burnetii</Emphasis> Antibodies in Selected Sheep of Portugal

Q fever is a zoonotic disease caused by Coxiella burnetii that is highly prevalent across the world. In this study, a prospective serosurvey was performed to study C. burnetii circulation in a population of sheep in the central region of Portugal. Blood from a representative sample of 168 animals was drawn in both 2015 and 2016, and sera were tested for IgG anti-C. burnetii by EIA. In 2015, 7.7% (13/168) animals tested positive for IgG anti-C. burnetii, while in 2016, 17.3% (29/168) tested positive, showing a statistically significant (P?=?0.008) increase in anti-C. burnetii seroprevalence. Results support the notion that Q fever is emerging in central Portugal.     

KIBRA (WWC1) Is a Metastasis Suppressor Gene Affected by Chromosome 5q Loss in Triple-Negative Breast Cancer

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A new species of <Emphasis Type="Italic">Isospora</Emphasis> Schneider, 1881 (Apicomplexa: Eimeriidae) from the twist-necked turtle <Emphasis Type="Italic">Platemys platycephala</Emphasis> (Schneider) (Testudines: Chelidae) in Brazil

A new coccidian species of the genus Isospora Schneider 1881 (Apicomplexa, Eimeriidae) is reported from a single specimen of chelid turtle, Platemys platycephala (Schneider, 1792), obtained in a flooded area of the Amazonian municipality of Altamira, in Pará State, northern Brazil. The oöcysts of Isospora platemysi n. sp. are subspheroidal, 19.0–24.0 × 22.5–18.5 (22.6 × 20.8) µm in size [length/width ratio 1.0–1.1 (1.1)], with a colourless wall, 1.0–1.9 (1.4) wide, with two smooth layers; polar granule is present, oöcyst residuum and micropyle are both absent. The sporocyst is ovoidal, 10.0–12.1 × 8.0–10.0 (11.0 × 9.1) µm [length/width ratio 1.1–1.3 (1.2), with a knob-like Stieda body. Sub-Stieda body is present, rounded irregular-trapezoidal; para-Stieda body is absent. Sporocyst residuum is dispersed and composed of granules of differing sizes. This is only the fifth record of Isospora in chelonians, and the first report of a coccidian parasite of the genus Platemys.     

Differentially expressed proteins associated with drought tolerance in bananas (<Emphasis Type="Italic">Musa</Emphasis> spp.)

Bananas are one of the most important fruits in tropical and subtropical regions worldwide. Each year, banana plantations expand, but the areas available are mostly dry lands. The establishment of strategies for obtaining drought tolerant cultivars depends on understanding of biological responses at genetic, molecular and biochemical levels. Proteomics is a powerful tool for functional characterization of the response of plants to abiotic stress and little is known about drought tolerance in Musa spp. Therefore, the aim of this study was to identify proteins related to drought tolerance in two contrasting banana genotypes, Prata Anã and BRS Tropical, susceptible and tolerant to drought, respectively. Proteins were extracted from rhizomes of bananas grown under greenhouse conditions with control, irrigated and water deficit regimes. The differential protein expression pattern was established by two-dimensional (2-D) electrophoresis and spots analyzed in nano Q-Tof Micro UPLC. Twenty-three differentially expressed proteins were found in the tolerant genotype (BRS Tropical) under water deficit, with proteins involved in metabolism, defense and transport. Proteins were classified according to known function and biosynthetic pathways. Signaling proteins in response to water stress, especially for the biological function of growth and development of plants cells, were also encountered, whereas heat shock proteins played a significant role. This is the first report of proteomic analysis for drought tolerance in ‘Pome’ and ‘Silk-type’ bananas containing the ‘B’ genome. Our work provides insights into Musa spp. response to drought and data for further studies regarding molecular mechanisms, which determine how Musa spp. cells better overcome environmental perturbations.     

Characteristics of 17Paracoccidioides brasiliensis isolates

We have studied the physiological and morphological features of 17 isolates ofParacoccidioides brasiliensis in order to define their phenotypes. The isolates were cultured at room temperature on potato dextrose agar (PDA, Difco) slants for mycelial growth and in 1% dextrose brain heart infusion agar (BHIA, Difco) at 37°C for the study of yeast forms. Most mycelial and yeast forms grew well between pH 5.6–9.4. In their response to osmotic pressure the isolates were separated in three groups: intolerant, intermediate and tolerant. They also varied in carbohydrate assimilation tests, which indicated important metabolic variation. No clear differences were observed in phenol oxidase tests, KNO₃, starch, casein and arbutin assimilation tests. Only 1 of the isolates, Bt-19, had gelatinase activity. No correlation was observed between the above differences and virulence. Two patterns of growth were observed in the mycelial cultures, glabrous and cottonous, the latter being correlated with increased virulence for ddY mice. Most yeast forms grew as cerebriform colonies, but Pb-HC and Bt-19 colonies had a cobblestone-like surface.     

The genetics of maintenance of an all-male lineage in the Squalius albuvnoides complex

Squalius alburnoides is a complex of minnows common to the Iberian Peninsula, consisting of two distinct forms. The most common form is comprised of diploid and polyploid asexual hybrids heterozygous for several diagnostic allozyme loci contributed by Squalius pyrenaicus or Squalius carolitertii and a missing ancestor. The other form is diploid and homozygous for the allele contributed by the missing ancestor at these same loci. Present results from analyses of sex ratio and cytochrome b sequences are not consistent with the evolutionary distinctiveness of this non-hybrid form and suggest that it represents an all-male lineage imbedded within an almost all-female complex. This all-male lineage allowed preservation of the ancestral paternal nuclear genome after the paternal ancestor became extinct in all or most drainages, withimportant evolutionary implications.     

Comparative phylogeography of Zacco platypus and Opsariichthys bidens (Teleostei, Cyprinidae) in China based on cytochrome b sequences

We compared the phylogenetic relationships and the population structure of the sympatric cyprinids Opsariichthys bidens and Zacco platypus across the Yangzte, Pearl and Hai He drainages in Mainland China. We used the mitochondrial cytochrome b gene to evaluate their phylogeographical structure and to discuss further systematic implications. We sequenced 71 new individuals of Z. platypus to add to a previous study and to construct a geographically comparable data set with O. bidens (Mol. Phylogenet. Evol. 31, 2004, 192; Mol. Phylogenet. Evol. 37, 2005, 920). Phylogeographic analysis of Z. platypus identified two additional mtDNA lineages (Zacco E and F) in addition to the previously recovered lineages (Zacco A–D). The geographical range of the Zacco A was extended across the Pearl drainage, broadening considerably the previous distribution that was circumscribed to the Yangtze drainage. Our results show high molecular divergence between all Zacco A–F mtDNA lineages (mean TrN + I + G distance 17.7%, range 4.4–30.8%), and the population analyses showed that most of the genetic variation was found among major river tributaries (90.2%). Values of θ_ST higher than 0.97 corroborated this interruption of gene flow between Zacco A–F mtDNA lineages. Nested clade analysis results were also concordant with the phylogenetic relationships recovered. We found similar phylogeographic patterns in Z. platypus and O. bidens: they exhibited two widespread and common lineages (Zacco A and Opsariichthys 1) ranging across the Yangtze and Pearl drainages, and both taxa had Northern lineages (Zacco F and Opsariichthys 5) clearly differentiated. Similar phylogeographic patterns suggest that common historical factors have shaped current Zacco and Opsariichthys diversity. High genetic distances and θ_ST values suggested that differentiation of Zacco A–F mtDNA lineages and Opsariichthys 1–5 was not recent and was probably favoured by old geological events. However, population parameters and low genetic differentiation inside Zacco A and Opsariichthys 1 suggest a recent gene flow across river drainages. Mitochondrial‐based phylogenies for the combined data sets of Zacco A–F and Opsariichthys 1–5 mtDNA lineages always recovered both taxa as paraphyletic, highlighting the notion that their current systematics need a revision.     

Multitaxon activity profiling reveals differential microbial response to reduced seawater pH and oil pollution

There is growing concern that predicted changes to global ocean chemistry will interact with anthropogenic pollution to significantly alter marine microbial composition and function. However, knowledge of the compounding effects of climate change stressors and anthropogenic pollution is limited. Here, we used 16S and 18S rRNA (cDNA)‐based activity profiling to investigate the differential responses of selected microbial taxa to ocean acidification and oil hydrocarbon contamination under controlled laboratory conditions. Our results revealed that a lower relative abundance of sulphate‐reducing bacteria (Desulfosarcina/Desulfococcus clade) due to an adverse effect of seawater acidification and oil hydrocarbon contamination (reduced pH–oil treatment) may be coupled to changes in sediment archaeal communities. In particular, we observed a pronounced compositional shift and marked reduction in the prevalence of otherwise abundant operational taxonomic units (OTUs) belonging to the archaeal Marine Benthic Group B and Marine Hydrothermal Vent Group (MHVG) in the reduced pH–oil treatment. Conversely, the abundance of several putative hydrocarbonoclastic fungal OTUs was higher in the reduced pH–oil treatment. Sediment hydrocarbon profiling, furthermore, revealed higher concentrations of several alkanes in the reduced pH–oil treatment, corroborating the functional implications of the structural changes to microbial community composition. Collectively, our results advance the understanding of the response of a complex microbial community to the interaction between reduced pH and anthropogenic pollution. In future acidified marine environments, oil hydrocarbon contamination may alter the typical mixotrophic and k‐/r‐strategist composition of surface sediment microbiomes towards a more heterotrophic state with lower doubling rates, thereby impairing the ability of the ecosystem to recover from acute oil contamination events.