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https://www.readbyqxmd.com/read/28229153/calculations-of-current-densities-for-neutral-and-doubly-charged-persubstituted-benzenes-using-effective-core-potentials
#1
Markus Rauhalahti, Stefan Taubert, Dage Sundholm, Vincent Liégeois
Magnetically induced current density susceptibilities and ring-current strengths have been calculated for neutral and doubly charged persubstituted benzenes C6X6 and C6X6(2+) with X = F, Cl, Br, I, At, SeH, SeMe, TeH, TeMe, and SbH2. The current densities have been calculated using the gauge-including magnetically induced current (GIMIC) method, which has been interfaced to the Gaussian electronic structure code rendering current density calculations using effective core potentials (ECP) feasible. Relativistic effects on the ring-current strengths have been assessed by employing ECP calculations of the current densities...
February 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28218739/suppression-of-islet-homeostasis-protein-thwarts-diabetes-mellitus-progression
#2
Seh-Hoon Oh, Marda L Jorgensen, Clive H Wasserfall, Altin Gjymishka, Bryon E Petersen
During progression to type 1 diabetes, insulin-producing β-cells are lost through an autoimmune attack resulting in unrestrained glucagon expression and secretion, activation of glycogenolysis, and escalating hyperglycemia. We recently identified a protein, designated islet homeostasis protein (IHoP), which specifically co-localizes within glucagon-positive α-cells and is overexpressed in the islets of both post-onset non-obese diabetic (NOD) mice and type 1 diabetes patients. Here we report that in the αTC1...
February 20, 2017: Laboratory Investigation; a Journal of Technical Methods and Pathology
https://www.readbyqxmd.com/read/28218273/discovery-of-the-first-dual-inhibitor-of-the-5-lipoxygenase-activating-protein-and-soluble-epoxide-hydrolase-using-pharmacophore-based-virtual-screening
#3
Veronika Temml, Ulrike Garscha, Erik Romp, Gregor Schubert, Jana Gerstmeier, Zsofia Kutil, Barbara Matuszczak, Birgit Waltenberger, Hermann Stuppner, Oliver Werz, Daniela Schuster
Leukotrienes (LTs) are pro-inflammatory lipid mediators derived from arachidonic acid (AA) with roles in inflammatory and allergic diseases. The biosynthesis of LTs is initiated by transfer of AA via the 5-lipoxygenase-activating protein (FLAP) to 5-lipoxygenase (5-LO). FLAP inhibition abolishes LT formation exerting anti-inflammatory effects. The soluble epoxide hydrolase (sEH) converts AA-derived anti-inflammatory epoxyeicosatrienoic acids (EETs) to dihydroxyeicosatetraenoic acids (di-HETEs). Its inhibition consequently also counteracts inflammation...
February 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28207867/thermal-stability-and-structural-changes-in-bacterial-toxins-responsible-for-food-poisoning
#4
Paulina Regenthal, Jesper S Hansen, Ingemar André, Karin Lindkvist-Petersson
The staphylococcal enterotoxins (SEs) are secreted by the bacteria Staphylococcus aureus and are the most common causative agent in staphylococcal food poisoning. The staphylococcal enterotoxin A (SEA) has been associated with large staphylococcal food poisoning outbreaks, but newer identified SEs, like staphylococcal enterotoxin H (SEH) has recently been shown to be present at similar levels as SEA in food poisoning outbreaks. Thus, we set out to investigate the thermo-stability of the three-dimensional structures of SEA, SEH and staphylococcal enterotoxin E (SEE), since heat inactivation is a common method to inactivate toxins during food processing...
2017: PloS One
https://www.readbyqxmd.com/read/28188798/in-silico-investigation-of-cycloartane-triterpene-derivatives-from-cimicifuga-dahurica-turcz-maxim-roots-for-the-development-of-potent-soluble-epoxide-hydrolase-inhibitors
#5
Nguyen Phuong Thao, Jang Hoon Kim, Bui Thi Thuy Luyen, Nguyen Tien Dat, Young Ho Kim
In our search for natural soluble epoxide hydrolase (sEH) inhibitors from plants, we found that an ethanolic extract of the roots of Cimicifuga dahurica (Turcz.) Maxim. significantly inhibits sEH in vitro. A phytochemical study on the dichloromethane fraction of C. dahurica resulted in the isolation of two new cycloartane triterpenoids (1 and 6), together with 13 known cycloartane analogues (2-5 and 7-15). The structures of compounds were determined by spectroscopic methods. All of the triterpenoid derivatives inhibited sEH enzymatic activity in a concentration-dependent manner, and 13 of the tested compounds showed significant activity...
February 7, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28185955/endothelial-nox4-based-nadph-oxidase-regulates-atherosclerosis-via-soluble-epoxide-hydrolase
#6
Pingping Hu, Xiaojuan Wu, Alok R Khandelwal, Weimin Yu, Zaicheng Xu, Lili Chen, Jian Yang, Robert M Weisbrod, Kin Sing Stephen Lee, Francesca Seta, Bruce D Hammock, Richard A Cohen, Chunyu Zeng, Xiaoyong Tong
: Nox4-based NADPH oxidase is a major reactive oxygen species-generating enzyme in the vasculature, but its role in atherosclerosis remains controversial. OBJECTIVE: Our goal was to investigate the mechanisms of endothelial Nox4 in regulating atherosclerosis. APPROACH AND RESULTS: Atherosclerosis-prone conditions (disturbed blood flow, type I diabetes, and Western diet) downregulated endothelial Nox4 mRNA in arteries. To address whether the downregulated endothelial Nox4 was directly involved in the development of atherosclerosis, we generated mice carrying a human Nox4 P437H dominant negative mutation (Nox4DN), driven by the endothelial specific promoter Tie-2, on atherosclerosis-prone genetic background (ApoE deficient mice) to mimic the effect of decreased endothelial Nox4...
February 6, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28182526/hippocampal-processing-of-ambiguity-enhances-fear-memory
#7
Ugwechi Amadi, Seh Hong Lim, Elizabeth Liu, Michael V Baratta, Ki A Goosens
Despite the ubiquitous use of Pavlovian fear conditioning as a model for fear learning, the highly predictable conditions used in the laboratory do not resemble real-world conditions, in which dangerous situations can lead to unpleasant outcomes in unpredictable ways. In the current experiments, we varied the timing of aversive events after predictive cues in rodents and discovered that temporal ambiguity of aversive events greatly enhances fear. During fear conditioning with unpredictably timed aversive events, pharmacological inactivation of the dorsal hippocampus or optogenetic silencing of cornu ammonis 1 cells during aversive negative prediction errors prevented this enhancement of fear without affecting fear learning for predictable events...
February 2017: Psychological Science
https://www.readbyqxmd.com/read/28104457/genetic-deletion-of-soluble-epoxide-hydrolase-provides-cardioprotective-responses-following-myocardial-infarction-in-aged-mice
#8
REVIEW
K Lockhart Jamieson, Victor Samokhvalov, Maria Akhnokh, Kyra Lee, Woo Jung Cho, Abhijit Takawale, Xiuhua Wang, Zamaneh Kassiri, John M Seubert
BACKGROUND: Pathophysiological responses, including cardiovascular complications, often alter with age. Cardioprotective effects of epoxyeicosatrienoic acids (EETs) toward acute myocardial ischemia-reperfusion injury have been well documented. However, biological relevance of EET-evoked cardioprotection in the ageing myocardium remains unknown. EETs are metabolized to less active metabolites by the enzyme soluble epoxide hydrolase (sEH). This study uses permanent occlusion of the left anterior descending artery (LAD) in young and aged sEH null and WT mice to compare cardiac and mitochondrial function following ischemic injury...
January 16, 2017: Prostaglandins & Other Lipid Mediators
https://www.readbyqxmd.com/read/28097044/study-on-the-single-dose-toxicity-of-shineumhur-pharmacopuncture-injected-into-the-muscles-of-rats
#9
Hohyun Jeong, Eunhye Cha, Jongcheol Lee, Seongjin Lee, Manyong Park, Dongwoung Kim, Bongkeun Song, Jongdeok Lee, Sungchul Kim
OBJECTIVES: This study was carried out to analyze the single dose toxicity of ShinEumHur (SEH) pharmacopuncture injected into the muscles of Sprague-Dawley rats. METHODS: The SEH pharmacopuncture was made in a clean room at the Korean Pharmacopuncture Institute (K-GMP). After the mixing process with sterile distilled water had been completed, the pH was controlled to between 7.0 and 7.5. All experiments were conducted at Biotoxtech, an institution authorized to perform non-clinical studies under the Good Laboratory Practice (GLP) regulations...
December 2016: Journal of Pharmacopuncture
https://www.readbyqxmd.com/read/28096362/catalytic-oxidation-of-li2s-on-the-surface-of-metal-sulfides-for-li-s-batteries
#10
Guangmin Zhou, Hongzhen Tian, Yang Jin, Xinyong Tao, Bofei Liu, Rufan Zhang, Zhi Wei Seh, Denys Zhuo, Yayuan Liu, Jie Sun, Jie Zhao, Chenxi Zu, David Sichen Wu, Qianfan Zhang, Yi Cui
Polysulfide binding and trapping to prevent dissolution into the electrolyte by a variety of materials has been well studied in Li-S batteries. Here we discover that some of those materials can play an important role as an activation catalyst to facilitate oxidation of the discharge product, Li2S, back to the charge product, sulfur. Combining theoretical calculations and experimental design, we select a series of metal sulfides as a model system to identify the key parameters in determining the energy barrier for Li2S oxidation and polysulfide adsorption...
January 31, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28056085/vascular-endothelial-over-expression-of-human-soluble-epoxide-hydrolase-tie2-seh-tr-attenuates-coronary-reactive-hyperemia-in-mice-role-of-oxylipins-and-%C3%AF-hydroxylases
#11
Ahmad Hanif, Matthew L Edin, Darryl C Zeldin, Christophe Morisseau, John R Falck, Mohammed A Nayeem
Cytochromes P450 metabolize arachidonic acid (AA) into two vasoactive oxylipins with opposing biologic effects: epoxyeicosatrienoic acids (EETs) and omega-(ω)-terminal hydroxyeicosatetraenoic acids (HETEs). EETs have numerous beneficial physiological effects, including vasodilation and protection against ischemia/reperfusion injury, whereas ω-terminal HETEs induce vasoconstriction and vascular dysfunction. We evaluated the effect of these oxylipins on post-ischemic vasodilation known as coronary reactive hyperemia (CRH)...
2017: PloS One
https://www.readbyqxmd.com/read/28036068/design-synthesis-and-cellular-characterization-of-a-dual-inhibitor-of-5-lipoxygenase-and-soluble-epoxide-hydrolase
#12
Karin Meirer, Daniel Glatzel, Simon Kretschmer, Sandra K Wittmann, Markus Hartmann, René Blöcher, Carlo Angioni, Gerd Geisslinger, Dieter Steinhilber, Bettina Hofmann, Robert Fürst, Ewgenij Proschak
The arachidonic acid cascade is a key player in inflammation, and numerous well-established drugs interfere with this pathway. Previous studies have suggested that simultaneous inhibition of 5-lipoxygenase (5-LO) and soluble epoxide hydrolase (sEH) results in synergistic anti-inflammatory effects. In this study, a novel prototype of a dual 5-LO/sEH inhibitor KM55 was rationally designed and synthesized. KM55 was evaluated in enzyme activity assays with recombinant enzymes. Furthermore, activity of KM55 in human whole blood and endothelial cells was investigated...
December 29, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28028752/cigarette-smoke-induced-pulmonary-inflammation-and-autophagy-are-attenuated-in-ephx2-deficient-mice
#13
Yunxiao Li, Ganggang Yu, Shaopeng Yuan, Chunting Tan, Puqiao Lian, Lixia Fu, Qi Hou, Bo Xu, Haoyan Wang
Cigarette smoke (CS) increases the risk of chronic obstructive pulmonary disease (COPD) by causing inflammation, emphysema, and reduced lung function. Additionally, CS can induce autophagy which contributes to COPD. Arachidonic acid-derived epoxyeicosatrienoic acids (EETs) have promising anti-inflammatory properties that may protect the heart and liver by regulating autophagy. For this reason, the effect of decreased soluble epoxide hydrolase (sEH, Ephx2)-mediated EET hydrolysis on inflammation, emphysema, lung function, and autophagy was here studied in CS-induced COPD in vivo...
December 27, 2016: Inflammation
https://www.readbyqxmd.com/read/28010876/central-ghrelin-resistance-permits-the-overconsolidation-of-fear-memory
#14
Elia S Harmatz, Lauren Stone, Seh Hong Lim, Graham Lee, Anna McGrath, Barbara Gisabella, Xiaoyu Peng, Eliza Kosoy, Junmei Yao, Elizabeth Liu, Nuno J Machado, Veronica S Weiner, Warren Slocum, Rodrigo A Cunha, Ki A Goosens
BACKGROUND: There are many contradictory findings about the role of the hormone ghrelin in aversive processing, with studies suggesting that ghrelin signaling can both inhibit and enhance aversion. Here, we characterize and reconcile the paradoxical role of ghrelin in the acquisition of fearful memories. METHODS: We used enzyme-linked immunosorbent assay to measure endogenous acyl-ghrelin and corticosterone at time points surrounding auditory fear learning. We used pharmacological (systemic and intra-amygdala) manipulations of ghrelin signaling and examined several aversive and appetitive behaviors...
November 29, 2016: Biological Psychiatry
https://www.readbyqxmd.com/read/28002622/inhibition-of-soluble-epoxide-hydrolase-augments-astrocyte-release-of-vascular-endothelial-growth-factor-and-neuronal-recovery-after-oxygen-glucose-deprivation
#15
Yue Zhang, Gina Hong, Kin Sing Stephen Lee, Bruce D Hammock, Debebe Gebremedhin, David R Harder, Raymond C Koehler, Adam Sapirstein
Epoxyeicosatrienoic acids (EETs) are synthesized in astrocytes, and inhibitors of soluble epoxide hydrolase (sEH), which hydrolyzes EETs, reduce infarct volume in ischemic stroke. Astrocytes can release protective neurotrophic factors, such as vascular endothelial growth factor (VEGF). We found that addition of sEH inhibitors to rat cultured astrocytes immediately after oxygen-glucose deprivation (OGD) markedly increased VEGF concentration in the medium 48 h later and the effect was blocked by an EET antagonist...
March 2017: Journal of Neurochemistry
https://www.readbyqxmd.com/read/27989636/probing-the-orientation-of-inhibitor-and-epoxy-eicosatrienoic-acid-binding-in-the-active-site-of-soluble-epoxide-hydrolase
#16
Kin Sing Stephen Lee, Niel M Henriksen, Connie J Ng, Jun Yang, Weitao Jia, Christophe Morisseau, Armann Andaya, Michael K Gilson, Bruce D Hammock
Soluble epoxide hydrolase (sEH) is an important therapeutic target of many diseases, such as chronic obstructive pulmonary disease (COPD) and diabetic neuropathic pain. It acts by hydrolyzing and thus regulating specific bioactive long chain polyunsaturated fatty acid epoxides (lcPUFA), like epoxyeicosatrienoic acids (EETs). To better predict which epoxides could be hydrolyzed by sEH, one needs to dissect the important factors and structural requirements that govern the binding of the substrates to sEH. This knowledge allows further exploration of the physiological role played by sEH...
October 28, 2016: Archives of Biochemistry and Biophysics
https://www.readbyqxmd.com/read/27983948/probing-the-orientation-of-inhibitor-and-epoxy-eicosatrienoic-acid-binding-in-the-active-site-of-soluble-epoxide-hydrolase
#17
Kin Sing Stephen Lee, Niel M Henriksen, Connie J Ng, Jun Yang, Weitao Jia, Christophe Morisseau, Armann Andaya, Michael K Gilson, Bruce D Hammock
Soluble epoxide hydrolase (sEH) is an important therapeutic target of many diseases, such as chronic obstructive pulmonary disease (COPD) and diabetic neuropathic pain. It acts by hydrolyzing and thus regulating specific bioactive long chain polyunsaturated fatty acid epoxides (lcPUFA), like epoxyeicosatrienoic acids (EETs). To better predict which epoxides could be hydrolyzed by sEH, one needs to dissect the important factors and structural requirements that govern the binding of the substrates to sEH. This knowledge allows further exploration of the physiological role played by sEH...
January 1, 2017: Archives of Biochemistry and Biophysics
https://www.readbyqxmd.com/read/27928588/investigation-of-the-binding-mode-of-1-3-4-oxadiazole-derivatives-as-amide-based-inhibitors-for-soluble-epoxide-hydrolase-seh-by-molecular-docking-and-mm-gbsa
#18
Leila Karami, Ali Akbar Saboury, Elham Rezaee, Sayyed Abbas Tabatabai
The soluble epoxide hydrolase (sEH) enzyme plays an important role in the metabolism of endogenous chemical mediators involved in the regulation of blood pressure and inflammation. Inhibition of sEH provides a new approach to the treatment of inflammation, hypertension and atherosclerosis. In this study, the binding modes and inhibition mechanisms of the new oxadiazole-based amide inhibitors of the human soluble epoxide hydrolase were investigated by molecular docking and molecular dynamics (MD) simulation followed by the MM-GBSA method to calculate the binding free energy of each inhibitor to sEH...
December 7, 2016: European Biophysics Journal: EBJ
https://www.readbyqxmd.com/read/27924507/tppu-protects-tau-from-h2o2-induced-hyperphosphorylation-in-hek293-tau-cells-by-regulating-pi3k-akt-gsk-3%C3%AE-pathway
#19
En-Sheng Yao, Yan Tang, Xing-Hua Liu, Ming-Huan Wang
Neurofibrillary pathology of abnormally hyperphosphorylated tau is a hallmark of Alzheimer's disease (AD) and other tauopathies. Phosphatidylinositol 3-kinase (PI3K)/Akt/glycogen synthase kinase-3 beta (GSK-3β) signaling pathway is pivotal for tau phosphorylation. Inhibition of soluble epoxide hydrolase (sEH) metabolism has been shown to effectively increase the accumulation of epoxyeicosatrienoic acids (EETs), which are cytochrome P450 metabolites of arachidonic acid and have been demonstrated to have neuroprotective effects...
December 2016: Journal of Huazhong University of Science and Technology. Medical Sciences
https://www.readbyqxmd.com/read/27902380/antimicrobial-resistance-profiling-and-molecular-typing-of-methicillin-resistant-staphylococcus-aureus-isolated-from-a-malaysian-teaching-hospital
#20
Ainihayati Noordin, Hassriana Fazzila Sapri, Nurul Azirah Mohamad Sani, Shih Kei Leong, Xin-Ee Tan, Toh Leong Tan, Noraziah Mohamad Zin, Hui-Min Neoh, Salasawati Hussin
The annual prevalence of methicillin-resistant Staphylococcus aureus (MRSA) in Malaysia has been estimated to be 30 % to 40 % of all S. aureus infections. Nevertheless, data on the antimicrobial resistance and genetic diversity of Malaysian MRSAs remain few. In 2009, we collected 318 MRSA strains from various wards of our teaching hospital located in Kuala Lumpur, the capital city of Malaysia, and performed antimicrobial susceptibility testing on these strains. The strains were then molecularly characterized via staphylococcal cassette chromosome (SCC) mec and virulence gene (cna, sea, seb, sec, sed, see, seg, seh, sei, eta, etb, Panton-Valentine leukocidin and toxic shock syndrome toxin-1) typing; a subset of 49 strains isolated from the intensive care unit was also typed using PFGE...
December 2016: Journal of Medical Microbiology
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