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https://www.readbyqxmd.com/read/28431354/first-example-of-peptides-targeting-the-dimer-interface-of-leishmania-infantum-trypanothione-reductase-with-potent-in%C3%A2-vitro-antileishmanial-activity
#1
Marta Ruiz-Santaquiteria, Pedro A Sánchez-Murcia, Miguel A Toro, Héctor de Lucio, Kilian Jesús Gutiérrez, Sonia de Castro, Filipa A C Carneiro, Federico Gago, Antonio Jiménez-Ruiz, María-José Camarasa, Sonsoles Velázquez
A series of 9-mer and 13-mer amide-bridged cyclic peptides derived from the linear prototype Ac-PKIIQSVGIS-Nle-K-Nle-NH2 (Toro et al. ChemBioChem2013) has been designed and synthesized by introduction of the lactam between amino acid side chains that are separated by one helical turn (i, i+4). All of these compounds were tested in vitro as both dimerization and enzyme inhibitors of Leishmania infantum trypanothione reductase (Li-TryR). Three of the 13-mer cyclic peptide derivatives (3, 4 and 6) inhibited the oxidoreductase activity of Li-TryR in the low micromolar range and they also disrupted enzyme dimerization...
April 13, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28431352/degradation-of-sulfamethoxazole-by-uv-uv-h2o2-and-uv-persulfate-pds-formation-of-oxidation-products-and-effect-of-bicarbonate
#2
Yi Yang, Xinglin Lu, Jin Jiang, Jun Ma, Guanqi Liu, Ying Cao, Weili Liu, Juan Li, Suyan Pang, Xiujuan Kong, Congwei Luo
The frequent detection of sulfamethoxazole (SMX) in wastewater and surface waters gives rise of concerns about their ecotoxicological effects and potential risks to induce antibacterial resistant genes. UV/hydrogen peroxide (UV/H2O2) and UV/persulfate (UV/PDS) advanced oxidation processes have been demonstrated to be effective for the elimination of SMX, but there is still a need for a deeper understanding of product formations. In this study, we identified and compared the transformation products of SMX in UV, UV/H2O2 and UV/PDS processes...
March 28, 2017: Water Research
https://www.readbyqxmd.com/read/28431142/respiratory-chain-enzyme-deficiency-induces-mitochondrial-location-of-actin-binding-gelsolin-to-modulate-the-oligomerization-of-vdac-complexes-and-cell-survival
#3
Alberto García-Bartolomé, Ana Peñas, Lorena Marín-Buera, Teresa Lobo-Jarne, Rafael Pérez-Pérez, María Morán, Joaquín Arenas, Miguel A Martín, Cristina Ugalde
Despite considerable knowledge on the genetic basis of mitochondrial disorders, their pathophysiological consequences remain poorly understood. We previously used 2D-DIGE analyses to define a protein profile characteristic for respiratory chain complex III-deficiency that included a significant overexpression of cytosolic Gelsolin (GSN), a cytoskeletal protein that regulates the severing and capping of the actin filaments. Biochemical and immunofluorescence assays confirmed a specific increase of GSN levels in the mitochondria from patientś fibroblasts and from transmitochondrial cybrids with complex III assembly defects...
April 18, 2017: Human Molecular Genetics
https://www.readbyqxmd.com/read/28431041/bidirectional-approaches-for-optogenetic-regulation-of-gene-expression-in-mammalian-cells-using-arabidopsis-cryptochrome-2
#4
Gopal P Pathak, Jessica I Spiltoir, Camilla Höglund, Lauren R Polstein, Sari Heine-Koskinen, Charles A Gersbach, Jari Rossi, Chandra L Tucker
Optogenetic tools allow regulation of cellular processes with light, which can be delivered with spatiotemporal resolution. In previous work, we used cryptochrome 2 (CRY2) and CIB1, Arabidopsis proteins that interact upon light illumination, to regulate transcription with light in yeast. While adopting this approach to regulate transcription in mammalian cells, we observed light-dependent redistribution and clearing of CRY2-tethered proteins within the nucleus. The nuclear clearing phenotype was dependent on the presence of a dimerization domain contained within the CRY2-fused transcriptional activators...
April 20, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28430802/the-quality-changes-in-fresh-frozen-plasma-of-the-blood-donors-at-high-altitude
#5
Zongkui Wang, Hua Liu, Miaomiao Dou, Xi Du, Jijun Hu, Na Su, Ya Wang, Rong Zhang, Changqing Li
OBJECTIVE: According to the international guidelines, fresh frozen plasma (FFP) is unanimously used to treat coagulation disorders. The quality of FFP is critical for the clinical transfusion. Till now, few studies have integratedly evaluated the differences of FFP from blood donors at between high altitude (HA) and low altitude (LA). Besides, there were no special quality standards for HA FFP in China. MATERIALS AND METHODS: Up to 41 HA (Lhasa, 3700 m) and 46 LA (Chengdu, 500 m) blood donors were included in our study to estimate the differences of FFP from HA and LA blood donors...
2017: PloS One
https://www.readbyqxmd.com/read/28430505/excitation-gap-scaling-near-quantum-critical-three-dimensional-antiferromagnets
#6
M Lohöfer, S Wessel
By means of large-scale quantum Monte Carlo simulations, we examine the quantum critical scaling of the magnetic excitation gap (the triplon gap) in a three-dimensional dimerized quantum antiferromagnet, the bicubic lattice, and identify characteristic multiplicative logarithmic scaling corrections atop the leading mean-field behavior. These findings are in accord with field-theoretical predictions that are based on an effective description of the quantum critical system in terms of an asymptotically free field theory, which exhibits a logarithmic decay of the renormalized interaction strength upon approaching the quantum critical point...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430475/amplitude-mode-in-three-dimensional-dimerized-antiferromagnets
#7
Yan Qi Qin, B Normand, Anders W Sandvik, Zi Yang Meng
The amplitude ("Higgs") mode is a ubiquitous collective excitation related to spontaneous breaking of a continuous symmetry. We combine quantum Monte Carlo (QMC) simulations with stochastic analytic continuation to investigate the dynamics of the amplitude mode in a three-dimensional dimerized quantum spin system. We characterize this mode by calculating the spin and dimer spectral functions on both sides of the quantum critical point, finding that both the energies and the intrinsic widths of the excitations satisfy field-theoretical scaling predictions...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430427/performance-of-the-amoeba-water-model-in-the-vicinity-of-qm-solutes-a-diagnosis-using-energy-decomposition-analysis
#8
Yuezhi Mao, Yihan Shao, Jacek Dziedzic, Chris-Kriton Skylaris, Teresa Head-Gordon, Martin Head-Gordon
The importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized with respect to both the QM electronic density and the MM induced dipoles. This QM/AMOEBA model is implemented through the Q-Chem/LibEFP code interface and then applied to the evaluation of solute-solvent interaction energies for various systems ranging from the water dimer to neutral and ionic solutes (NH3, NH4(+) , CN(-)) surrounded by increasing numbers of water molecules (up to 100)...
April 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28430281/insertion-of-sodium-phosphaethynolate-na-ocp-into-a-zirconium-benzyne-complex
#9
Jerod M Kieser, Robert J Gilliard, Arnold L Rheingold, Hansjörg Grützmacher, John D Protasiewicz
Reaction of the zirconium-benzyne complex [Cp2Zr(PMe3)(C6H4)] with sodium phosphaethynolate, Na[OCP], affords a zircono-phosphaalkene complex. Notably, unlike reactions of other transition metal complexes with Na[OCP] that yield the products of simple salt metathesis, this transformation represents novel Na[OCP] insertion chemistry and formation of an unusual solid state coordination polymer. The polymer is disrupted upon addition of Me3SiCl to afford a silyl-capped dimer that retains the zirconophosphaalkene functionality...
April 21, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28430136/therapeutic-effect-of-low-doses-of-acenocoumarol-in-the-course-of-ischemia-reperfusion-induced-acute-pancreatitis-in-rats
#10
Zygmunt Warzecha, Paweł Sendur, Piotr Ceranowicz, Jakub Cieszkowski, Marcin Dembiński, Ryszard Sendur, Joanna Bonior, Jolanta Jaworek, Tadeusz Ambroży, Rafał Olszanecki, Beata Kuśnierz-Cabala, Kaczmarzyk Tomasz, Romana Tomaszewska, Artur Dembiński
Intravascular activation of coagulation is observed in acute pancreatitis and is related to the severity of this inflammation. The aim of our study was to evaluate the impact of acenocoumarol therapy on the course of acute pancreatitis induced in male rats by pancreatic ischemia followed by reperfusion. Acenocoumarol at a dose of 50, 100, or 150 µg/kg/dose was administered intragastrically once a day, starting the first dose 24 h after the initiation of pancreatic reperfusion. RESULTS: Histological examination showed that treatment with acenocoumarol reduces pancreatic edema, necrosis, and hemorrhages in rats with pancreatitis...
April 21, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28429932/thermodynamics-of-the-thermal-denaturation-of-acid-molten-globule-state-of-cytochrome-c-indicate-a-reversible-high-temperature-oligomerization-process
#11
Shigeyoshi Nakamura, Tomonori Saotome, Akiko Nakazawa, Masao Fukuda, Yutaka Kuroda, Shun-Ichi Kidokoro
In this study, we performed differential scanning calorimetry (DSC) and pressure perturbation calorimetry (PPC) analysis of the thermal transition of cytochrome c from an acidic molten globule (MG) state with the protein concentrations of 0.5-18.2 mg/mL. DSC profiles were highly reversible and showed clear protein-concentration dependence, indicating that reversible oligomerization occurred accompanying the thermal transition from the MG state. The DSC and PPC data required at least a six-state model including three new oligomeric states: dimer (I2), trimer (I3), and tetramer (I4) in addition to the three monomeric states previously characterized...
April 21, 2017: Biochemistry
https://www.readbyqxmd.com/read/28429836/increased-levels-of-soluble-hla-g-molecules-in-tunisian-patients-with-chronic-hepatitis-b-infection
#12
Ahmed Baligh Laaribi, Daria Bortolotti, Naila Hannachi, Asma Mehri, Olfa Hazgui, Hamza Ben Yahia, Wafa Babay, Manel Belhadj, Houda Chaouech, Salwa Yacoub, Amel Letaief, Imene Ouzari, Abdellatif Boudabous, Dario Di Luca, Jalel Boukadida, Roberta Rizzo, Ines Zidi
Hepatitis B virus (HBV) infection is a global health problem. The mechanisms of immune tolerance in HBV infection are still unclear. The host immune response plays a critical role in determining the outcome of HBV infection. Human leukocyte antigen-G (HLA-G) is involved in immunotolerogenic process and infectious diseases. The present study aimed to explore the implication of soluble HLA-G (sHLA-G) and its isoforms in HBV infection. Total sHLA-G (including shedding HLA-G1 and HLA-G5) was analysed by ELISA in 95 chronic HBV patients, 83 spontaneously resolvers and 100 healthy controls...
April 21, 2017: Journal of Viral Hepatitis
https://www.readbyqxmd.com/read/28429788/the-hsp90-chaperone-machinery
#13
REVIEW
Florian H Schopf, Maximilian M Biebl, Johannes Buchner
The heat shock protein 90 (HSP90) chaperone machinery is a key regulator of proteostasis under both physiological and stress conditions in eukaryotic cells. As HSP90 has several hundred protein substrates (or 'clients'), it is involved in many cellular processes beyond protein folding, which include DNA repair, development, the immune response and neurodegenerative disease. A large number of co-chaperones interact with HSP90 and regulate the ATPase-associated conformational changes of the HSP90 dimer that occur during the processing of clients...
April 21, 2017: Nature Reviews. Molecular Cell Biology
https://www.readbyqxmd.com/read/28429634/migration-of-oligomers-from-pet-determination-of-diffusion-coefficients-and-comparison-of-experimental-versus-modelled-migration
#14
Maria Hoppe, Roberta Fornari, Pim de Voogt, Roland Franz
Polyethylene terephthalate is increasingly used as food contact material for example in containers for beverage such as bottles for soft drinks, mineral water, juices and beer. Mass transport of substances present in packaging materials into the packed food and beverages is monitored to verify the food law compliance of the materials. PET is known to contain or give rise to migrants that are oligomers derived from the polymeric material. Until now their actual migration potential has been investigated only poorly...
April 21, 2017: Food Additives & Contaminants. Part A, Chemistry, Analysis, Control, Exposure & Risk Assessment
https://www.readbyqxmd.com/read/28429317/biochemistry-and-physiology-of-reactive-oxygen-species-in-euglena
#15
Takahiro Ishikawa, Shun Tamaki, Takanori Maruta, Shigeru Shigeoka
Reactive oxygen species (ROS) such as superoxide and hydrogen peroxide are by-products of various metabolic processes in aerobic organisms including Euglena. Chloroplasts and mitochondria are the main sites of ROS generation by photosynthesis and respiration, respectively, through the active electron transport chain. An efficient antioxidant network is required to maintain intracellular ROS pools at optimal conditions for redox homeostasis. A comparison with the networks of plants and animals revealed that Euglena has acquired some aspects of ROS metabolic process...
2017: Advances in Experimental Medicine and Biology
https://www.readbyqxmd.com/read/28428565/small-methyltransferase-rlmh-assembles-a-composite-active-site-to-methylate-a-ribosomal-pseudouridine
#16
Cha San Koh, Rohini Madireddy, Timothy J Beane, Phillip D Zamore, Andrei A Korostelev
Eubacterial ribosomal large-subunit methyltransferase H (RlmH) methylates 23S ribosomal RNA pseudouridine 1915 (Ψ1915), which lies near the ribosomal decoding center. The smallest member of the SPOUT superfamily of methyltransferases, RlmH lacks the RNA recognition domain found in larger methyltransferases. The catalytic mechanism of RlmH enzyme is unknown. Here, we describe the structures of RlmH bound to S-adenosyl-methionine (SAM) and the methyltransferase inhibitor sinefungin. Our structural and biochemical studies reveal catalytically essential residues in the dimer-mediated asymmetrical active site...
April 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28427936/molecular-dissection-of-caenorhabditis-elegans-atp-binding-cassette-transporter-protein-haf-4-to-investigate-its-subcellular-localization-and-dimerization
#17
Takahiro Tanji, Hirohisa Shiraishi, Kenji Nishikori, Reiko Aoyama, Kazuaki Ohashi, Masatomo Maeda, Ayako Ohashi-Kobayashi
Caenorhabditis elegans HAF-4 and HAF-9 are half-type ATP-binding cassette (ABC) transporter proteins, which are highly homologous to the human peptide transporter protein, transporter associated with antigen processing-like (TAPL, ABCB9). TAPL forms homodimers and localizes to lysosomes, whereas HAF-4 and HAF-9 form heterodimers and localize to intestine-specific non-acidified organelles. Both TAPL and HAF-4/HAF-9 are predicted to have four amino-terminal transmembrane helices [transmembrane domain 0 (TMD0)] additional to the six transmembrane helices that form the canonical core domain of ABC transporters with a cytosolic ABC region...
April 17, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/28427809/picrasidine-g-decreases-viability-of-mda-mb-468-egfr-overexpressing-triple-negative-breast-cancer-cells-through-inhibition-of-egfr-stat3-signaling-pathway
#18
Naoya Yamashita, Manami Kondo, Shuai Zhao, Wei Li, Kazuo Koike, Kiyomitsu Nemoto, Yuichiro Kanno
Targeted therapy is unavailable for treating patients with triple-negative breast cancer (TNBC), which accounts for approximately 15% of all breast cancers. Overexpression of epidermal growth factor receptor (EGFR) is observed in approximately 30-60% of TNBCs. Therefore, developing novel strategies for inhibiting EGFR signaling is required. In the present study, a natural compound library was screened to identify molecules that target TNBCs that overexpress EGFR. Picrasidine G (PG), a naturally occurring dimeric alkaloid produced by Picrasma quassioides, decreased the viability of the MDA-MB 468 cell line (TNBC(EGFR+)) compared with other breast cancer cell lines...
March 23, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28426806/the-crystal-structure-of-erwinia-amylovora-amyr-a-member-of-the-ybjn-protein-family-shows-similarity-to-type-iii-secretion-chaperones-but-suggests-different-cellular-functions
#19
Joseph D Bartho, Dom Bellini, Jochen Wuerges, Nicola Demitri, Mirco Toccafondi, Armin O Schmitt, Youfu Zhao, Martin A Walsh, Stefano Benini
AmyR is a stress and virulence associated protein from the plant pathogenic Enterobacteriaceae species Erwinia amylovora, and is a functionally conserved ortholog of YbjN from Escherichia coli. The crystal structure of E. amylovora AmyR reveals a class I type III secretion chaperone-like fold, despite the lack of sequence similarity between these two classes of protein and lacking any evidence of a secretion-associated role. The results indicate that AmyR, and YbjN proteins in general, function through protein-protein interactions without any enzymatic action...
2017: PloS One
https://www.readbyqxmd.com/read/28426213/role-of-mediator-and-effects-of-temperature-on-ortho-c-n-bond-fusion-reactions-of-aniline-using-ruthenium-templates-isolation-and-characterization-of-new-ruthenium-complexes-of-the-in-situ-generated-ligands
#20
Suman K Roy, Debabrata Sengupta, Santi Prasad Rath, Tanushri Saha, Subhas Samanta, Sreebrata Goswami
In this work, ortho-C-N bond fusion reactions of aniline are followed by the use of two different ruthenium mediators. Reaction of aniline with [Ru(III)(terpy)Cl3] (terpy = 2,2':6',2″-terpyridine) resulted in a trans bis-aniline ruthenium(II) complex [1](+) which upon oxidation with H2O2 produced compound [2](+) of a bidentate ligand, N-phenyl-1,2-benzoquinonediimine, due to an oxidative ortho-C-N bond fusion reaction. Complex [1](+) and aniline (neat) at 185 °C produced a bis-chelated ruthenium complex (3)...
April 20, 2017: Inorganic Chemistry
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