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https://www.readbyqxmd.com/read/28743070/tracking-binding-modes-of-1-2-4-trisubstituted-imidazolinone-p38-map-kinase-and-erk-2-inhibitors
#1
Shashidhar N Rao
Putative binding modes of recently reported p38 MAP Kinase and ERK-2 inhibitors containing 1,2,4-tri-substituted imidazolinone have been investigated using molecular docking methods In the case of p38 MAP Kinase, X-ray structures with both DFG-in and DFG-out conformations of the activation loop have been employed for docking studies. The present investigations demonstrate that the DFG-out conformation of the activation loop in p38 MAP Kinase accommodates the 1,2,4-tri-substituted imidazolinones with greater computed binding affinities than the alternative DFG-in conformation...
July 4, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28742342/structure-of-thymidylate-kinase-from-candida-albicans-reveals-a-unique-structural-element
#2
Kaustubh Sinha, Gordon S Rule
The structure of thymidylate kinase from Candida albicans, determined by X-ray crystallography, is reported to a resolution of 2.45 Å with a final Rfree of 0.223. Thymidylate kinase from C. albicans possesses a unique 15 residue loop that is not seen in thymidylate kinases from other genera. The structure reported here reveals that the conformation of this loop is constrained by both intra- and inter-subunit hydrogen bonding and a number of key residues in this loop are conserved among different Candida species of medical importance...
July 25, 2017: Biochemistry
https://www.readbyqxmd.com/read/28742320/nanoscale-probing-of-elastic-electronic-response-to-vacancy-motion-in-nio-nanocrystals
#3
Fran Kurnia, Jeffrey Cheung, Xuan Cheng, Jivika Sullaphen, Sergei V Kalinin, Nagarajan Valanoor, Rama K Vasudevan
Measuring the diffusion of ions and vacancies at nanometer length scales is crucial to understanding fundamental mechanisms driving technologies as diverse as batteries, fuel cells and memristors; yet such measurements remains extremely challenging. Here, we employ a multi-modal scanning probe microscopy (SPM) technique to explore the interplay between electronic, elastic and ionic processes via first order reversal curve I-V measurements in conjunction with electrochemical strain microscopy (ESM). The technique is employed to investigate the diffusion of oxygen vacancies in model epitaxial nickel oxide (NiO) nanocrystals with resistive switching characteristics...
July 25, 2017: ACS Nano
https://www.readbyqxmd.com/read/28742165/system-analysis-identifies-distinct-and-common-functional-networks-governed-by-transcription-factor-ascl1-in-glioma-and-small-cell-lung-cancer
#4
Sainitin Donakonda, Swati Sinha, Shrinivas Nivrutti Dighe, Manchanahalli R Satyanarayana Rao
ASCL1 is a basic Helix-Loop-Helix transcription factor (TF), which is involved in various cellular processes like neuronal development and signaling pathways. Transcriptome profiling has shown that ASCL1 overexpression plays an important role in the development of glioma and Small Cell Lung Carcinoma (SCLC), but distinct and common molecular mechanisms regulated by ASCL1 in these cancers are unknown. In order to understand how it drives the cellular functional network in these two tumors, we generated a gene expression profile in a glioma cell line (U87MG) to identify ASCL1 gene targets by an si RNA silencing approach and then compared this with a publicly available dataset of similarly silenced SCLC (NCI-H1618 cells)...
July 25, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28742133/a-putative-atp-gtp-binding-protein-affects-leishmania-mexicana-growth-in-insect-vectors-and-vertebrate-hosts
#5
Aygul Ishemgulova, Natalya Kraeva, Jana Hlaváčová, Sara L Zimmer, Anzhelika Butenko, Lucie Podešvová, Tereza Leštinová, Julius Lukeš, Alexei Kostygov, Jan Votýpka, Petr Volf, Vyacheslav Yurchenko
BACKGROUND: Leishmania virulence factors responsible for the complicated epidemiology of the various leishmaniases remain mainly unidentified. This study is a characterization of a gene previously identified as upregulated in two of three overlapping datasets containing putative factors important for Leishmania's ability to establish mammalian intracellular infection and to colonize the gut of an insect vector. METHODOLOGY/PRINCIPAL FINDINGS: The investigated gene encodes ATP/GTP binding motif-containing protein related to Leishmania development 1 (ALD1), a cytosolic protein that contains a cryptic ATP/GTP binding P-loop...
July 24, 2017: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/28742060/suppressed-kondo-effect-and-kosterlitz-thouless-type-phase-transition-induced-by-level-difference-in-a-triple-dot-device
#6
Yong-Chen Xiong, Hai-Ming Huang, Wen-Lei Zhao, Amel Laref
Quantum dot system provides an ideal platform for quantum information processing, within which to demonstrate the quantum states is one of the most important issue for quantum simulation and quantum computation. In this paper, we report a peculiar electron state in a parallel triple dot device where the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction is invalid when the level differences of the dots sweep into appropriate regime. This extraordinary tendency then results in an antiferromagnetic spin coupling between two of the dots and may lead to zero or full conductance, relying deeply on the relation of the two level spacings...
July 25, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28742050/asymptotic-tracking-controller-design-for-nonlinear-systems-with-guaranteed-performance
#7
Bo Fan, Qinmin Yang, Sarangapani Jagannathan, Youxian Sun
In this paper, a novel adaptive control strategy is presented for the tracking control of a class of multi-input-multioutput uncertain nonlinear systems with external disturbances to place user-defined time-varying constraints on the system state. Our contribution includes a step forward beyond the usual stabilization result to show that the states of the plant converge asymptotically, as well as remain within user-defined time-varying bounds. To achieve the new results, an error transformation technique is first established to generate an equivalent nonlinear system from the original one, whose asymptotic stability guarantees both the satisfaction of the time-varying restrictions and the asymptotic tracking performance of the original system...
July 21, 2017: IEEE Transactions on Cybernetics
https://www.readbyqxmd.com/read/28741867/targeting-of-a-helix-loop-helix-transcriptional-regulator-by-a-short-helical-peptide
#8
Cornelia Roschger, Saskia Neukirchen, Brigitta Elsässer, Mario Schubert, Nicole Maeding, Thomas Verwanger, Barbara Krammer, Chiara Cabrele
The Id proteins (Id1-4) are cell cycle regulators that play a key role during development, in cancer and vascular disorders. They contain a conserved helix-loop-helix (HLH) domain that folds into a parallel four-helix bundle upon self- or heteroassociation with basic-HLH transcription factors. By using such protein-protein interactions, the Id proteins inhibit cell differentiation and promote cell cycle progression. Accordingly, their supporting role in cancer has been convincingly demonstrated, which makes these proteins interesting therapeutic targets...
July 25, 2017: ChemMedChem
https://www.readbyqxmd.com/read/28741841/pulmonary-valve-opening-with-two-rotary-left-ventricular-assist-devices-for-biventricular-support
#9
Eric L Wu, Frank Nestler, Matthias Kleinheyer, Michael C Stevens, Jo P Pauls, John F Fraser, Shaun D Gregory
Right ventricular failure is a common complication associated with rotary left ventricular assist device (LVAD) support. Currently, there is no clinically approved long-term rotary right ventricular assist device (RVAD). Instead, clinicians have implanted a second rotary LVAD as RVAD in biventricular support. To prevent pulmonary hypertension, the RVAD must be operated by either reducing pump speed or banding the outflow graft. These modes differ in hydraulic performance, which may affect the pulmonary valve opening (PVO) and subsequently cause fusion, valvular insufficiency, and thrombus formation...
July 25, 2017: Artificial Organs
https://www.readbyqxmd.com/read/28741664/in-vitro-evaluation-of-an-immediate-response-starling-like-controller-for-dual-rotary-blood-pumps
#10
Andrew F Stephens, Michael C Stevens, Shaun D Gregory, Matthias Kleinheyer, Robert F Salamonsen
Rotary ventricular assist devices (VADs) are used to provide mechanical circulatory support. However, their lack of preload sensitivity in constant speed control mode (CSC) may result in ventricular suction or venous congestion. This is particularly true of biventricular support, where the native flow-balancing Starling response of both ventricles is diminished. It is possible to model the Starling response of the ventricles using cardiac output and venous return curves. With this model, we can create a Starling-like physiological controller (SLC) for VADs which can automatically balance cardiac output in the presence of perturbations to the circulation...
July 25, 2017: Artificial Organs
https://www.readbyqxmd.com/read/28740937/impact-of-prone-versus-supine-positioning-on-small-bowel-dose-with-pelvic-intensity-modulated-radiation-therapy
#11
Victor J Gonzalez, Craig R Hullett, Lindsay Burt, Prema Rassiah-Szegedi, Vikren Sarkar, Jonathan D Tward, Lisa J Hazard, Y Jessica Huang, Bill J Salter, David K Gaffney
PURPOSE: To report the results of a prospective study that compares small bowel doses during prone and supine pelvic intensity modulated radiation therapy. METHODS AND MATERIALS: Ten patients receiving pelvic radiation therapy each had 2 intensity modulated radiation therapy plans generated: supine and prone on a belly board (PBB). Computed tomography on rails was performed weekly throughout treatment in both positions (10 scans per patient). After image fusion, doses to small bowel (SB) loops and clinical target volume were calculated for each scan...
April 2017: Advances in Radiation Oncology
https://www.readbyqxmd.com/read/28740732/low-molecular-weight-ngf-mimetic-corrects-the-cognitive-deficit-and-depression-like-behavior-in-experimental-diabetes
#12
R U Ostrovskaya, S S Yagubova, T A Gudasheva, S B Seredenin
Based on the comorbidity of diabetes, depression, and dementia and recognizing that a deficiency of the nerve growth factor (NGF) is involved in all of these kinds of pathologies, we studied the effect of the mimetic of dimeric dipeptide NGF loop 4, GK-2, on a model of streptozotocin-induced type 2 diabetes in C57Bl/6 mice. GK-2 [hexamethylenediamide bis-(N-monosuccinyl-glutamyl-lysine)] was synthesized at the V.V. Zakusov Scientific Research Institute of Pharmacology. The study revealed the ability of GK-2 to ameliorate hyperglycemia induced by streptozotocine (STZ 100 mg/kg i...
April 2017: Acta Naturae
https://www.readbyqxmd.com/read/28740546/a-paper-based-device-for-performing-loop-mediated-isothermal-amplification-with-real-time-simultaneous-detection-of-multiple-dna-targets
#13
Youngung Seok, Hyou-Arm Joung, Ju-Young Byun, Hyo-Sung Jeon, Su Jeong Shin, Sanghyo Kim, Young-Beom Shin, Hyung Soo Han, Min-Gon Kim
Paper-based diagnostic devices have many advantages as a one of the multiple diagnostic test platforms for point-of-care (POC) testing because they have simplicity, portability, and cost-effectiveness. However, despite high sensitivity and specificity of nucleic acid testing (NAT), the development of NAT based on a paper platform has not progressed as much as the others because various specific conditions for nucleic acid amplification reactions such as pH, buffer components, and temperature, inhibitions from technical differences of paper-based device...
2017: Theranostics
https://www.readbyqxmd.com/read/28739805/functional-insights-into-the-mode-of-dna-and-ligand-binding-of-the-tetr-family-regulator-tylp-from-streptomyces-fradiae
#14
Shamayeeta Ray, Anwesha Maitra, Anwesha Biswas, Santosh Panjikar, Jagannath Mondal, Ruchi Anand
Tetracycline Repressors (TetRs) modulate multi-drug efflux pathways in several pathogenic bacteria. In Streptomyces, they additionally regulate secondary metabolic pathways like antibiotic production. For instance, in the antibiotic producer Streptomyces fradiae, a layered network of TetRs regulate the levels of commercially important antibiotic tylosin, with TylP occupying the top of this cascading network. TetRs exist in two functional states; the DNA-bound and the ligand-bound form, which are allosterically regulated...
July 24, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28739781/structural-insights-into-the-tla-3-extended-spectrum-%C3%AE-lactamase-and-its-inhibition-by-avibactam-and-op0595
#15
Wanchun Jin, Jun-Ichi Wachino, Yoshihiro Yamaguchi, Kouji Kimura, Anupriya Kumar, Mototsugu Yamada, Akihiro Morinaka, Yoshiaki Sakamaki, Minoru Yonezawa, Hiromasa Kurosaki, Yoshichika Arakawa
Development of effective inhibitors that block extended-spectrum β-lactamases (ESBLs) and restore the action of β-lactams represents an effective strategy against ESBL-producing Enterobacteriaceae We evaluated the inhibitory effect of the diazabicyclooctanes avibactam and OP0595 against TLA-3, an ESBL we identified previously. Avibactam and OP0595 inhibited TLA-3 with apparent Ki app of 1.71 ± 0.10 and 1.49 ± 0.05 μM, respectively, and could restore susceptibility to cephalosporins in TLA-3-producing Escherichia coli The acylation rate constant [k2/K, (3...
July 24, 2017: Antimicrobial Agents and Chemotherapy
https://www.readbyqxmd.com/read/28739659/the-stress-sensing-torc2-complex-activates-yeast-agc-family-protein-kinase-ypk1-at-multiple-novel-sites
#16
Kristin L Leskoske, Françoise M Roelants, Maria Nieves Martinez Marshall, Jennifer M Hill, Jeremy Thorner
Yeast (Saccharomyces cerevisiae) Target of Rapamycin (TOR) Complex 2 (TORC2) is a multi-subunit plasma membrane-associated protein kinase and vital growth regulator. Its essential functions are exerted via phosphorylation and stimulation of downstream protein kinase Ypk1 (and its paralog Ypk2). Ypk1 phosphorylates multiple substrates to regulate plasma membrane lipid and protein composition. Ypk1 function requires phosphorylation of Thr504 in its activation loop by eisosome-associated Pkh1 (and its paralog Pkh2)...
July 24, 2017: Genetics
https://www.readbyqxmd.com/read/28739647/compensatory-distal-reabsorption-drives-diuretic-resistance-in-human-heart-failure
#17
Veena S Rao, Noah Planavsky, Jennifer S Hanberg, Tariq Ahmad, Meredith A Brisco-Bacik, Francis P Wilson, Daniel Jacoby, Michael Chen, W H Wilson Tang, David Z I Cherney, David H Ellison, Jeffrey M Testani
Understanding the tubular location of diuretic resistance (DR) in heart failure (HF) is critical to developing targeted treatment strategies. Rodents chronically administered loop diuretics develop DR due to compensatory distal tubular sodium reabsorption, but whether this translates to human DR is unknown. We studied consecutive patients with HF (n=128) receiving treatment with loop diuretics at the Yale Transitional Care Center. We measured the fractional excretion of lithium (FELi), the gold standard for in vivo assessment of proximal tubular and loop of Henle sodium handling, to assess sodium exit after loop diuretic administration and FENa to assess the net sodium excreted into the urine...
July 24, 2017: Journal of the American Society of Nephrology: JASN
https://www.readbyqxmd.com/read/28739383/patient-reported-intestinal-toxicity-from-whole-pelvis-intensity-modulated-radiotherapy-first-quantification-of-bowel-dose-volume-effects
#18
Carla Sini, Barbara Noris Chiorda, Pietro Gabriele, Giuseppe Sanguineti, Sara Morlino, Fabio Badenchini, Domenico Cante, Viviana Carillo, Marcella Gaetano, Tommaso Giandini, Valeria Landoni, Angelo Maggio, Lucia Perna, Edoardo Petrucci, Vincenzo Sacco, Riccardo Valdagni, Tiziana Rancati, Claudio Fiorino, Cesare Cozzarini
BACKGROUND AND PURPOSE: Intestinal toxicity is commonly experienced during whole-pelvis intensity-modulated radiotherapy (WPRT) for prostate cancer. The aim of the current study was to assess bowel dose-volume relationships for acute patient-reported intestinal symptoms of patients treated with WPRT for prostate cancer. MATERIALS AND METHODS: Complete data of 206 patients were available; the median dose to pelvic nodes was 51.8Gy (range 50.4-54.4, 1.7-2Gy/fr). Intestinal symptoms were assessed as changes in the Inflammatory Bowel Disease Questionnaire scores relative to the Bowel Domain (IBDQ-B) between baseline and radiotherapy mid-point/end...
July 21, 2017: Radiotherapy and Oncology: Journal of the European Society for Therapeutic Radiology and Oncology
https://www.readbyqxmd.com/read/28739026/the-influence-of-joint-technologies-on-elv-recyclability
#19
Vi Kie Soo, Paul Compston, Matthew Doolan
Stricter vehicle emission legislation has led to the increasing use of lightweight materials and multi-material concepts to reduce the vehicle mass. To account for the complexity of multi-material vehicle designs, the choice of joining techniques used is becoming more diverse. Moreover, the different material combinations, and their respective joining methods play an important role in determining the potential of full material separation in a closed-loop system. This paper evaluates the types of joining technologies used in the automotive industry, and identifies those that hinder the sorting of ELV materials...
July 21, 2017: Waste Management
https://www.readbyqxmd.com/read/28738961/-circular-rna-circhipk3-promotes-nci-h1299-and-nci-h2170-cell-proliferation-through-mir-379-and-its-target-igf1
#20
Fang Tian, Yun Wang, Zhe Xiao, Xuejun Zhu
BACKGROUND: It has been proven that the circular RNA, possessing a stable covalently closed continuous loop, is a type of RNA molecule which is expressed widespread in mammals. The circular RNA circHIPK3 is abundantly expressed in hepatocellular carcinoma (HCC) and promotes tumourgenesis. However, a role for circHIPK3 has not been systematically examined in non-small cell lung cancer (NSCLC). In this study, we investigated whether circHIPK3 has an effect on cell proliferation in the NSCLC cell lines NCI-H1299 and NCI-H2170 and the underlying molecular mechanisms...
July 20, 2017: Zhongguo Fei Ai za Zhi, Chinese Journal of Lung Cancer
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