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https://www.readbyqxmd.com/read/28224261/determination-of-glucose-exchange-rates-and-permeability-of-erythrocyte-membrane-in-preeclampsia-and-subsequent-oxidative-stress-related-protein-damage-using-dynamic-19-f-nmr
#1
Elizabeth Dickinson, John R P Arnold, Julie Fisher
The cause of the pregnancy condition preeclampsia (PE) is thought to be endothelial dysfunction caused by oxidative stress. As abnormal glucose tolerance has also been associated with PE, we use a fluorinated-mimic of this metabolite to establish whether any oxidative damage to lipids and proteins in the erythrocyte membrane has increased cell membrane permeability. Data were acquired using (19)F Dynamic-NMR (DNMR) to measure exchange of 3-fluoro-3-deoxyglucose (3-FDG) across the membrane of erythrocytes from 10 pregnant women (5 healthy control women, and 5 from women suffering from PE)...
February 21, 2017: Journal of Biomolecular NMR
https://www.readbyqxmd.com/read/28223975/characterization-of-a-novel-polymeric-bioflocculant-produced-from-bacterial-utilization-of-n-hexadecane-and-its-application-in-removal-of-heavy-metals
#2
Mihirjyoti Pathak, Hridip K Sarma, Krishna G Bhattacharyya, Sanjukta Subudhi, Varsha Bisht, Banwari Lal, Arundhuti Devi
A novel polymeric bioflocculant was produced by a bacterium utilizing degradation of n-hexadecane as the energy source. The bioflocculant was produced with a bioflocculating activity of 87.8%. The hydrocarbon degradation was confirmed by gas chromatography-mass spectrometry analysis and was further supported with contact angle measurements for the changes in hydrophobic nature of the culture medium. A specific aerobic degradation pathway followed by the bacterium during the bioflocculant production and hydrocarbon utilization process has been proposed...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28223697/dynamic-regulation-of-gdp-binding-to-g-proteins-revealed-by-magnetic-field-dependent-nmr-relaxation-analyses
#3
Yuki Toyama, Hanaho Kano, Yoko Mase, Mariko Yokogawa, Masanori Osawa, Ichio Shimada
Heterotrimeric guanine-nucleotide-binding proteins (G proteins) serve as molecular switches in signalling pathways, by coupling the activation of cell surface receptors to intracellular responses. Mutations in the G protein α-subunit (Gα) that accelerate guanosine diphosphate (GDP) dissociation cause hyperactivation of the downstream effector proteins, leading to oncogenesis. However, the structural mechanism of the accelerated GDP dissociation has remained unclear. Here, we use magnetic field-dependent nuclear magnetic resonance relaxation analyses to investigate the structural and dynamic properties of GDP bound Gα on a microsecond timescale...
February 22, 2017: Nature Communications
https://www.readbyqxmd.com/read/28223532/identification-of-productive-and-futile-encounters-in-an-electron-transfer-protein-complex
#4
Witold Andrałojć, Yoshitaka Hiruma, Wei-Min Liu, Enrico Ravera, Masaki Nojiri, Giacomo Parigi, Claudio Luchinat, Marcellus Ubbink
Well-defined, stereospecific states in protein complexes are often in exchange with an ensemble of more dynamic orientations: the encounter states. The structure of the stereospecific complex between cytochrome P450cam and putidaredoxin was solved recently by X-ray diffraction as well as paramagnetic NMR spectroscopy. Other than the stereospecific complex, the NMR data clearly show the presence of additional states in the complex in solution. In these encounter states, populated for a small percentage of the time, putidaredoxin assumes multiple orientations and samples a large part of the surface of cytochrome P450cam...
February 21, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28222362/quinazolinone-benzimidazole-conjugates-synthesis-characterization-dihydrofolate-reductase-inhibition-dna-and-protein-binding-properties
#5
Prinka Singla, Vijay Luxami, Kamaldeep Paul
Quinazolinone and benzimidazole represent as important and abundant classes of fused nitrogen-containing heterocycle. A series of two isomeric quinazolinone-benzimidazole conjugates is synthesized and substitutes with different aromatic rings. These compounds are well characterized by (1)H and (13)C NMR as well as mass spectrometry. Compounds are then evaluated by dihydrofolate reductase inhibitory activity. In vitro assay shows that some compounds are exhibiting significant dihydrofolate reductase inhibitory activities...
February 14, 2017: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/28222263/reaction-mechanism-of-covalent-modification-of-phosphatidylethanolamine-lipids-by-reactive-aldehydes-4-hydroxy-2-nonenal-and-4-oxo-2-nonenal
#6
Katarina Vazdar, Danijela Vojta, Davor Margetić, Mario Vazdar
4-hydroxy-2-nonenal (HNE) and 4-oxo-2-nonenal (ONE) are biologically important reactive aldehydes formed during oxidative stress in phospholipid bilayers. They are highly reactive species due to presence of several reaction centers and can react with amino acids in peptides and proteins, as well as phosphoethanolamine (PE) lipids, thus modifying their biological activity. The aim of this work is to study in a molecular detail the reactivity of HNE and ONE towards PE lipids in a simplified system containing only lipids and reactive aldehydes in dichloromethane as an inert solvent...
February 21, 2017: Chemical Research in Toxicology
https://www.readbyqxmd.com/read/28218749/mechanistic-basis-for-the-recognition-of-a-misfolded-protein-by-the-molecular-chaperone-hsp90
#7
Javier Oroz, Jin Hae Kim, Bliss J Chang, Markus Zweckstetter
The critical toxic species in over 40 human diseases are misfolded proteins. Their interaction with molecular chaperones such as Hsp90, which preferentially interacts with metastable proteins, is essential for the blocking of disease progression. Here we used nuclear magnetic resonance (NMR) spectroscopy to determine the three-dimensional structure of the misfolded cytotoxic monomer of the amyloidogenic human protein transthyretin, which is characterized by the release of the C-terminal β-strand and perturbations of the A-B loop...
February 20, 2017: Nature Structural & Molecular Biology
https://www.readbyqxmd.com/read/28218648/expression-purification-and-monitoring-of-conformational-changes-of-hcb2-tmh67h8-in-different-membrane-mimetic-lipid-mixtures-using-circular-dichroism-and-nmr-techniques
#8
Elvis K Tiburu, Jianqin Zhuang, Heidimarie N A Fleischer, Patrick K Arthur, Gordon A Awandare
This work was intended to develop self-assembly lipids for incorporating G-protein coupled receptors (GPCRs) in order to improve the success rate for nuclear magnetic resonance spectroscopy (NMR) structural elucidation. We hereby report the expression and purification of uniformly (15)N-labeled human cannabinoid receptor-2 domain in insect cell media. The domain was refolded by screening several membrane mimetic environments. Different q ratios of isotropic bicelles were screened for solubilizing transmembrane helix 6, 7 and 8 (TMH67H8)...
February 17, 2017: Membranes
https://www.readbyqxmd.com/read/28218529/antibacterial-paramagnetic-quinones-from-actinoallomurus
#9
Marianna Iorio, João Cruz, Matteo Simone, Alice Bernasconi, Cristina Brunati, Margherita Sosio, Stefano Donadio, Sonia I Maffioli
Four metabolites, designated paramagnetoquinone A, B, C, and D (1-4), were isolated from three strains belonging to the actinomycete genus Actinoallomurus. Compounds 1 and 2 showed potent antibacterial activity with MIC values lower than 0.015 μg/mL against Gram-positive pathogens, including antibiotic-resistant strains. Since compounds 1 and 2 were NMR-silent due to the presence of an oxygen radical, structure elucidation was achieved through a combination of derivatizations, oxidations, and analysis of (13)C-labeled compounds...
February 20, 2017: Journal of Natural Products
https://www.readbyqxmd.com/read/28217898/metal-induced-changes-in-trivalent-chromium-resistant-alcaligenes-faecalis-vitsim2
#10
Shiny C Matilda, Chittibabu Shanthi
The changes induced in bacterial strains under stress conditions provide an insight into metal resistance strategies. Trivalent chromium resistant bacterium were isolated and identified by 16S rRNA gene sequencing and designated as Alcaligenes faecalis VITSIM2. The growth pattern was monitored. The organism also showed resistance to copper, cadmium, and certain antibiotics. The differentially expressed proteins in SDS PAGE were identified by mass spectrometry as flagellin and 50S ribosomal L36 protein. The morphological changes were identified by scanning electron microscopy...
February 20, 2017: Journal of Basic Microbiology
https://www.readbyqxmd.com/read/28217261/affinity-of-rimantadine-enantiomers-against-influenza-a-m2-protein-revisited
#11
Antonios Drakopoulos, Christina Tzitzoglaki, Chulong Ma, Kathrin Freudenberger, Anja Hoffmann, Yanmei Hu, Günter Gauglitz, Michaela Schmidtke, Jun Wang, Antonios Kolocouris
Recent findings from solid state NMR (ssNMR) studies suggested that the (R)-enantiomer of rimantadine binds to the full M2 protein with higher affinity than the (S)-enantiomer. Intrigued by these findings, we applied functional assays, such as antiviral assay and electrophysiology (EP), to evaluate the binding affinity of rimantadine enantiomers to the M2 protein channel. Unexpectedly, no significant difference was found between the two enantiomers. Our experimental data based on the full M2 protein function were further supported by alchemical free energy calculations and isothermal titration calorimetry (ITC) allowing an evaluation of the binding affinity of rimantadine enantiomers to the M2TM pore...
February 9, 2017: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28216409/structure-and-activity-of-contryphan-vc2-importance-of-the-d-amino-acid-residue
#12
Stephen B Drane, Samuel D Robinson, Christopher A MacRaild, Sandeep Chhabra, Balasubramanyam Chittoor, Rodrigo A V Morales, Eleanor W W Leung, Alessia Belgi, Samuel S Espino, Baldomero M Olivera, Andrea J Robinson, David K Chalmers, Raymond S Norton
In natural proteins and peptides, amino acids exist almost invariably as L-isomers. There are, however, several examples of naturally-occurring peptides containing D-amino acids. In this study we investigated the role of a naturally-occurring D-amino acid in a small peptide identified in the transcriptome of a marine cone snail. This peptide belongs to a family of peptides known as contryphans, all of which contain a single D-amino acid residue. The solution structure of this peptide was solved by NMR, but further investigations with molecular dynamics simulations suggest that its solution behaviour may be more dynamic than suggested by the NMR ensemble...
February 16, 2017: Toxicon: Official Journal of the International Society on Toxinology
https://www.readbyqxmd.com/read/28216225/molecular-characterization-of-myoglobin-from-sciurus-vulgaris-meridionalis-primary-structure-kinetics-and-spectroscopic-studies
#13
Antonella M A Di Giuseppe, Luigi Russo, Rosita Russo, Sara Ragucci, J Valentina Caso, Carla Isernia, Angela Chambery, Antimo Di Maro
Myoglobins (Mbs) are heme-proteins involved in dioxygen storage necessary for metabolic respiration. Mbs are intensely investigated as archetype to investigate structure/function relationship in globular proteins. In this work, the myoglobin from S. vulgaris meridionalis has been for the first time isolated and purified with a high yield and homogeneity. The primary structure characterization has been performed by applying a strategy based on high resolution tandem mass spectrometry. Proximal (position 93, α-helix F8) and distal histidinyl residues (position 64, α-helix E7) as well as most of the amino acid residues (i...
February 16, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28214471/che-1-sustains-hypoxic-response-of-colorectal-cancer-cells-by-affecting-hif-1%C3%AE-stabilization
#14
Tiziana Bruno, Mariacristina Valerio, Luca Casadei, Francesca De Nicola, Frauke Goeman, Matteo Pallocca, Valeria Catena, Simona Iezzi, Cristina Sorino, Agata Desantis, Cesare Manetti, Giovanni Blandino, Aristide Floridi, Maurizio Fanciulli
BACKGROUND: Solid tumours are less oxygenated than normal tissues. Consequently, cancer cells acquire to be adapted to a hypoxic environment. The poor oxygenation of solid tumours is also a major indicator of an adverse cancer prognosis and leads to resistance to conventional anticancer treatments. We previously showed the involvement of Che-1/AATF (Che-1) in cancer cell survival under stress conditions. Herein we hypothesized that Che-1 plays a role in the response of cancer cells to hypoxia...
February 18, 2017: Journal of Experimental & Clinical Cancer Research: CR
https://www.readbyqxmd.com/read/28213793/automation-of-peak-tracking-analysis-of-stepwise-perturbed-nmr-spectra
#15
Tommaso Banelli, Marco Vuano, Federico Fogolari, Andrea Fusiello, Gennaro Esposito, Alessandra Corazza
We describe a new algorithmic approach able to automatically pick and track the NMR resonances of a large number of 2D NMR spectra acquired during a stepwise variation of a physical parameter. The method has been named Trace in Track (TINT), referring to the idea that a gaussian decomposition traces peaks within the tracks recognised through 3D mathematical morphology. It is capable of determining the evolution of the chemical shifts, intensity and linewidths of each tracked peak.The performances obtained in term of track reconstruction and correct assignment on realistic synthetic spectra were high above 90% when a noise level similar to that of experimental data were considered...
February 17, 2017: Journal of Biomolecular NMR
https://www.readbyqxmd.com/read/28213180/biochemical-composition-of-symplastic-sap-from-sugarcane-genetically-modified-to-overproduce-proline
#16
Graciele Carraro Balestro, Bruna Higashi, Sheila Mara Sanches Lopes, José Eduardo Gonçalves, Luiz Gonzaga Esteves Vieira, Arildo José Braz de Oliveira, Regina Aparecida Correia Gonçalves
Global interest in sugarcane has increased significantly in recent years because of its economic impact on sustainable energy production. The purpose of the present study was to evaluate changes in the concentrations of total sugars, amino acids, free proline, and total proteins by colorimetric analyses and nuclear magnetic resonance (NMR) to perform a metabolic profiling of a water-soluble fraction of symplastic sap in response to the constitutive expression of a mutant Δ(1)-pyrroline-5-carboxylate synthetase (P5CS) gene from Vigna aconitifolia...
February 9, 2017: Plant Physiology and Biochemistry: PPB
https://www.readbyqxmd.com/read/28209992/from-basic-apoptosis-discoveries-to-advanced-selective-bcl-2-family-inhibitors
#17
REVIEW
Avi Ashkenazi, Wayne J Fairbrother, Joel D Leverson, Andrew J Souers
Members of the B cell lymphoma 2 (BCL-2) gene family have a central role in regulating programmed cell death by controlling pro-apoptotic and anti-apoptotic intracellular signals. In cancer, apoptosis evasion through dysregulation of specific BCL-2 family genes is a recurring event; accordingly, selective inhibition of specific anti-apoptotic BCL-2 family proteins represents an exciting therapeutic opportunity. A combination of nuclear magnetic resonance (NMR)-based screening and structure-based drug design has yielded the first bona fide BCL-2 homology 3 (BH3) mimetics, including the BCL-2 and BCL-XL dual antagonist navitoclax, which is the first BCL-2 family inhibitor to show efficacy in patients with cancer...
February 17, 2017: Nature Reviews. Drug Discovery
https://www.readbyqxmd.com/read/28208280/an-integrated-approach-to-unique-nmr-assignment-of-methionine-methyl-resonances-in-proteins
#18
Fei Yu, Jing Qiao, John Robblee, Desiree Tsao, James Anderson, Ishan Capila
The application of methyl nuclear magnetic resonance (NMR) spectroscopy in protein side-chain structural studies offers unique advantages of greater peak sensitivity, even for high-molecular-weight proteins. Traditionally, the utility of methyl NMR has often been limited by the difficulty in assigning the methyl resonances. Herein, a mass spectrometry (MS)-assisted strategy to assign the methyl resonances of methionine residues is presented. The strategy involves partially oxidizing the methionine and quantifying the oxidation level by both NMR and liquid chromatography-mass spectrometry (LC-MS)...
February 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28207895/the-metastasis-suppressor-kiss1-is-an-intrinsically-disordered-protein-slightly-more-extended-than-a-random-coil
#19
Alain Ibáñez de Opakua, Nekane Merino, Maider Villate, Tiago N Cordeiro, Georgina Ormaza, Marta Sánchez-Carbayo, Tammo Diercks, Pau Bernadó, Francisco J Blanco
The metastasis suppressor KISS1 is reported to be involved in the progression of several solid neoplasias, making it a promising molecular target for controlling their metastasis. The KISS1 sequence contains an N-terminal secretion signal and several dibasic sequences that are proposed to be the proteolytic cleavage sites. We present the first structural characterization of KISS1 by circular dichroism, multi-angle light scattering, small angle X-Ray scattering and NMR spectroscopy. An analysis of the KISS1 backbone NMR chemical shifts does not reveal any preferential conformation and deviation from a random coil ensemble...
2017: PloS One
https://www.readbyqxmd.com/read/28207855/novel-approaches-for-the-taxonomic-and-metabolic-characterization-of-lactobacilli-integration-of-16s-rrna-gene-sequencing-with-maldi-tof-ms-and-1h-nmr
#20
Claudio Foschi, Luca Laghi, Carola Parolin, Barbara Giordani, Monica Compri, Roberto Cevenini, Antonella Marangoni, Beatrice Vitali
Lactobacilli represent a wide range of bacterial species with several implications for the human host. They play a crucial role in maintaining the ecological equilibrium of different biological niches and are essential for fermented food production and probiotic formulation. Despite the consensus about the 'health-promoting' significance of Lactobacillus genus, its genotypic and phenotypic characterization still poses several difficulties. The aim of this study was to assess the integration of different approaches, genotypic (16S rRNA gene sequencing), proteomic (MALDI-TOF MS) and metabolomic (1H-NMR), for the taxonomic and metabolic characterization of Lactobacillus species...
2017: PloS One
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