Abstract:
:Phospholipase A2-like (PLA2-like) proteins contribute to the development of muscle necrosis in Viperidae snake bites and are not efficiently neutralized by current antivenom treatments. The toxic mechanisms of PLA2-like proteins are devoid of catalytic activity and not yet fully understood, although structural and functional experiments suggest a dimeric assembly and that the C-terminal residues are essential to myotoxicity. Herein, we characterized the functional mechanism of bothropic PLA2-like structures related to global and local measurements using the available models in the Protein Data Bank and normal mode molecular dynamics (NM-MD). Those measurements include: (i) new geometric descriptions between their monomers, based on Euler angles; (ii) characterizations of canonical and non-canonical conformations of the C-terminal residues; (iii) accessibility of the hydrophobic channel; (iv) inspection of ligands; and (v) distance of clustered residues to toxin interface of interaction. Thus, we described the allosteric activation of PLA2-like proteins and hypothesized that the natural movement between monomers, calculated from NM-MD, is related to their membrane disruption mechanism, which is important for future studies of the inhibition process. These methods and strategies can be applied to other proteins to help understand their mechanisms of action.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Borges RJ,Lemke N,Fontes MRMdoi
10.1038/s41598-017-15614-zsubject
Has Abstractpub_date
2017-11-14 00:00:00pages
15514issue
1issn
2045-2322pii
10.1038/s41598-017-15614-zjournal_volume
7pub_type
杂志文章abstract::Hydrogen sulfide (H2S) signaling has been considered a key regulator of plant developmental processes and defenses. In this study, we demonstrate that high levels of H2S inhibit auxin transport and lead to alterations in root system development. H2S inhibits auxin transport by altering the polar subcellular distributi...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep08251
更新日期:2015-02-05 00:00:00
abstract::Sarcopenia is an aging condition involving low muscle mass and function. Fetuin-A (FetA) appears to be a factor for body composition remodeling. We hypothesized that age increases FetA levels and deteriorates the myocardial function by affecting diastolic function, especially in people with sarcopenia. We enrolled 541...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep12078
更新日期:2015-07-10 00:00:00
abstract::Early diagnosis of dementia including Alzheimer's disease (AD) is an urgent medical and welfare issue. However, to date, no simple biometrics have been available. We reported that blood DNA methylation levels of the COASY gene, which encodes coenzyme A synthase, were increased in individuals with AD and amnestic mild ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-69248-9
更新日期:2020-07-22 00:00:00
abstract::Human induced pluripotent stem cells (hiPSCs) represent an almost limitless source of cells for disease modelling and drug screening applications. Here we established an efficient and robust 3D platform for cardiomyocyte (CMs) production from hiPSCs, solely through small-molecule-based temporal modulation of the Wnt s...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-45047-9
更新日期:2019-06-25 00:00:00
abstract::Influence maximization is the problem of finding the set of nodes of a network that maximizes the size of the outbreak of a spreading process occurring on the network. Solutions to this problem are important for strategic decisions in marketing and political campaigns. The typical setting consists in the identificatio...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-51209-6
更新日期:2019-10-22 00:00:00
abstract::We report on the intriguing evolution of the dynamical spin correlations of the frustrated spinel ZnMn2O4. Inelastic neutron scattering and magnetization studies reveal that the dynamical correlations at high temperatures are 1D. At lower temperature, these dynamical correlations become 2D. Surprisingly, the dynamical...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep17771
更新日期:2015-12-08 00:00:00
abstract::Salinity is one of the major abiotic factors that affect productivity in oat. Here, we report a comparison of the transcriptomes of two hexaploid oat cultivars, 'Hanyou-5' and 'Huazao-2', which differ with respect to salt tolerance, in seedlings exposed to salt stress. Analysis of the assembled unigenes from the osmot...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-34505-5
更新日期:2018-11-02 00:00:00
abstract::Endocannabinoids are small signaling lipids, with 2-arachidonoylglycerol (2-AG) implicated in modulating axonal growth and synaptic plasticity. The concept of short-range extracellular signaling by endocannabinoids is supported by the lack of trans-synaptic 2-AG signaling in mice lacking sn-1-diacylglycerol lipases (D...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep02093
更新日期:2013-01-01 00:00:00
abstract::Bleaching, the loss of algal symbionts, occurs in marine photosymbiotic organisms at water temperatures minimally exceeding average summer SST (sea surface temperatures). Pre-adaptation allows organisms to persist under warmer conditions, providing the tolerance can be carried to new habitats. Here we provide evidence...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep30930
更新日期:2016-08-09 00:00:00
abstract::Tsunamis can propagate thousands of kilometres across the ocean. Precise calculations of arrival times are essential for reliable early warning systems, determination of source and earth properties using the inverse problem, and time series modulation due to frequency dependency of phase speed. Far field observatories...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-52475-0
更新日期:2019-11-14 00:00:00
abstract::Different grazing strategies impact grassland plant production and may also regulate the soil carbon formation. For a site in semiarid temperate steppe, we studied the effect of combinations of rest, high and moderate grazing pressure over three stages of the growing season, on the process involved in soil carbon sequ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep10892
更新日期:2015-07-03 00:00:00
abstract::Understanding the transcriptional regulatory elements that influence the progression of liver disease in the presence of hepatitis C virus (HCV) infection is critical for the development of diagnostic and therapeutic approaches. Systems biology provides a roadmap by which these elements may be integrated. In this stud...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-32464-5
更新日期:2018-09-24 00:00:00
abstract::Endothelial dysfunction, which is caused by endothelial nitric oxide synthase (eNOS) uncoupling, is an initial step in atherosclerosis. This study was designed to explore whether Chinese medicine xin-mai-jia (XMJ) recouples eNOS to exert anti-atherosclerotic effects. Pretreatment of XMJ (25, 50, 100 μg/ml) for 30 minu...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep43508
更新日期:2017-03-02 00:00:00
abstract::Asymmetric cell division is a ubiquitous feature during the development of higher organisms. Asymmetry is achieved by differential localization or activities of biological molecules such as proteins, and coding and non-coding RNAs. Here, we present subcellular transcriptomic and proteomic analyses along the animal-veg...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-26592-1
更新日期:2018-05-29 00:00:00
abstract::Kidney dysfunction, a deleterious effect of obesity, is now recognized as a relevant health risk. Chemokine (C-C Motif) Ligand 2 (CCL2) is one of the critical chemokines that play a vital role in the development of obesity-related metabolic disease. We aim to measure the changes in urinary CCL2 in our patients before ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-57763-8
更新日期:2020-01-21 00:00:00
abstract::The evolution to bipedalism forced humans to develop suitable strategies for dynamically controlling their balance, ensuring stability, and preventing falling. The natural aging process and traumatic events such as lower-limb loss can alter the human ability to control stability significantly increasing the risk of fa...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep46721
更新日期:2017-05-11 00:00:00
abstract::With modern scanning probe microscopes, it is possible to manipulate surface structures even at the atomic level. However, manipulation of nanoscale objects such as clusters is often more relevant and also more challenging due to the complicated interactions between the surface, cluster and apparatus. We demonstrate t...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep01270
更新日期:2013-01-01 00:00:00
abstract::A correction to this article has been published and is linked from the HTML version of this paper. The error has been fixed in the paper. ...
journal_title:Scientific reports
pub_type: 杂志文章,已发布勘误
doi:10.1038/s41598-018-20340-1
更新日期:2018-01-23 00:00:00
abstract::Cladosporium cladosporioides causes asthma and superficial and deep infections, mostly in immunodeficient individuals and animals. This study aimed to investigate whether C. cladosporioides spores can enter the lungs through pulmonary circulation and influence pulmonary immune response. We intravenously injected mice ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-79642-y
更新日期:2021-01-13 00:00:00
abstract::The L-iduronic acid (IdoA) residue is a critically important structural component in heparan sulphate polysaccharide for the biological functions. The pyranose ring of IdoA is present in (1)C4-chair, (2)SO-skew boat, and less frequently, in (4)C1-chair conformations. Here, we analyzed the conformation of IdoA residue ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep29602
更新日期:2016-07-14 00:00:00
abstract::It is possible to accurately and economically predict change in protein-protein interaction energy upon mutation (ΔΔG), when a high-resolution structure of the complex is available. This is of growing usefulness for design of high-affinity or otherwise modified binding proteins for therapeutic, diagnostic, industrial,...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep25406
更新日期:2016-05-13 00:00:00
abstract::Manipulating the polarization states of electromagnetic (EM) waves, a fundamental issue in optics, attracted intensive attention recently. However, most of the devices realized so far are either too bulky in size, and/or are passive with only specific functionalities. Here we combine theory and experiment to demonstra...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep27503
更新日期:2016-06-08 00:00:00
abstract::We report comparative indoor and outdoor stability testing of organic solar cells based on a blend between a donor-acceptor polyfluorene copolymer and a fullerene derivative. The outdoor testing was conducted for a period over 12,000 hours in Sheffield, England, with a Ts80 lifetime determined in excess of 10,000 hour...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-01505-w
更新日期:2017-05-02 00:00:00
abstract::Zika virus (ZIKV) is an emerging mosquito-borne pathogen representing a global health concern. It has been linked to fetal microcephaly and other birth defects and neurological disorders in adults. Sanofi Pasteur has engaged in the development of an inactivated ZIKV vaccine, as well as a live chimeric vaccine candidat...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-31375-9
更新日期:2018-09-04 00:00:00
abstract::We present axial plane optical microscopy (APOM) that can, in contrast to conventional microscopy, directly image a sample's cross-section parallel to the optical axis of an objective lens without scanning. APOM combined with conventional microscopy simultaneously provides two orthogonal images of a 3D sample. More im...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep07253
更新日期:2014-12-01 00:00:00
abstract::The complexity of the frictional dynamics at the microscopic scale makes difficult to identify all of its controlling parameters. Indeed, experiments on sheared elastic bodies have shown that the static friction coefficient depends on loading conditions, the real area of contact along the interfaces and the confining ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep06772
更新日期:2014-10-27 00:00:00
abstract::Analysis of the developing proteome has been complicated by a lack of tools that can be easily employed to label and identify newly synthesized proteins within complex biological mixtures. Here, we demonstrate that the methionine analogs azidohomoalanine and homopropargylglycine can be globally incorporated into the p...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep32377
更新日期:2016-08-30 00:00:00
abstract::Carbon dioxide supercritical fluid extraction (CO2 SFE) is a clean and cost-effective method of extracting cannabinoids from cannabis. Using design of experiment methodologies an optimised protocol for extraction of medicinal cannabis bud material (population of mixed plants, combined THC:CBD approximately 1:1.5) was ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-66119-1
更新日期:2020-06-04 00:00:00
abstract::Sea buckthorn (Hippophae Rhamnoides L.) is an important source of bioactive compounds such as: antioxidants, vitamins, fatty acids, amino acids, and minerals. Sea buckthorn leaves extracts have been proved to have anti-microbial, antioxidant, anti-inflammatory, and anti-viral properties. In this paper, the extraction ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-48610-6
更新日期:2019-08-19 00:00:00
abstract::Adaptive optics (AO) visual simulators based on deformable mirrors, spatial light modulators or optotunable lenses are increasingly used to simulate vision through different multifocal lens designs. However, the correspondence of this simulation with that obtained through real intraocular lenses (IOLs) tested on the s...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-38673-w
更新日期:2019-02-07 00:00:00