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https://www.readbyqxmd.com/read/29039666/comparative-assessment-of-computational-methods-for-free-energy-calculations-of-ionic-hydration
#1
Haiyang Zhang, Yang Jiang, Hai Yan, Ziheng Cui, Chunhua Yin
Experimental observations for ionic hydration free energies are highly debated mainly due to the ambiguous absolute hydration free energy of proton, ΔGhyd(*)(H(+)). Hydration free energies (HFEs) of the 112 singly charged ions in the Minnesota solvation database were predicted by six methods with explicit and implicit solvent models, namely, thermodynamic integration (TI), energy representation module (ERmod), three-dimensional reference interaction site model (3D-RISM), and continuum solvation models based on the quantum mechanical charge density (SMD) and on the Poisson-Boltzmann (PB) and generalized Born (GB) theories...
November 1, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/29017426/investigations-on-the-influence-of-zidovudine-in-the-pharmacokinetics-of-isoniazid-and-its-hepatotoxic-metabolites-in-rats
#2
Raghu Ramanathan, Karthikeyan Sivanesan
The HIV-infected patients are co-infected with many bacterial infections in which tuberculosis is most common found worldwide. These patients are often administered with combined therapy of anti-retroviral and anti-tubercular drugs which leads to several complications including hepatotoxicity or adverse drug interactions. The drug-drug interactions between the anti-retroviral and anti-tubercular drugs are not clearly defined and hence, this study was conducted to evaluate the pharmacokinetic drug-drug interactions of Zidovudine (AZT) with Isoniazid (INH) and its hepatotoxic metabolites...
January 1, 2017: Journal of Pharmacy Practice
https://www.readbyqxmd.com/read/29016880/evaluation-of-the-relative-intranasal-abuse-potential-of-a-hydrocodone-extended-release-tablet-formulated-with-abuse-deterrence-technology-in-nondependent-recreational-opioid-users
#3
Mary Bond, Kerri A Schoedel, Laura Rabinovich-Guilatt, Maciej Gasior, William Tracewell, Richard Malamut, Yuju Ma, Lynn R Webster
Objective: To assess the intranasal abuse potential of hydrocodone extended-release (ER) tablets developed with CIMA Abuse-Deterrence Technology compared with hydrocodone powder and hydrocodone bitartrate ER capsules (Zohydro ER, original formulation [HYD-OF]). Design: Single-dose, randomized, double-blind, quadruple-dummy, active- and placebo-controlled, crossover study. Setting: One US site. Subjects: Healthy, adult, nondependent, recreational opioid users...
June 14, 2017: Pain Medicine: the Official Journal of the American Academy of Pain Medicine
https://www.readbyqxmd.com/read/28992013/effect-of-trace-mineral-source-on-mineral-status-and-performance-of-beef-steers-fed-low-or-high-sulfur-diets
#4
S J Hartman, O N Genther-Schroeder, S L Hansen
A 2 × 2 factorial assessed the effect of trace mineral (TM) sources fed within low- or high-S diets on the mineral status and performance of cattle. Angus crossbred steers ( = 48; 6/pen) were blocked by BW (316 ± 16.6 kg), assigned to low-S (0.27%; LS) or high-S (0.54%; HS; added as CaSO) diets, and supplemented TM at 10 mg Cu, 30 mg Zn, and 20 mg Mn/kg DM from hydroxy (HYD; IntelliBond; Micronutrients USA LLC, Indianapolis, IN) or inorganic (sulfates; ING) sources ( = 12 steers/treatment). Steers were fed corn silage and corn-based diets via GrowSafe bunks in the growing period (GP; 84 d) and finishing period (FP; 77 d), respectively...
September 2017: Journal of Animal Science
https://www.readbyqxmd.com/read/28991996/effect-of-trace-mineral-source-on-mineral-status-and-performance-of-beef-steers-fed-low-or-high-sulfur-diets
#5
S J Hartman, O N Genther-Schroeder, S L Hansen
A 2 × 2 factorial assessed the effect of trace mineral (TM) sources fed within low- or high-S diets on the mineral status and performance of cattle. Angus crossbred steers ( = 48; 6/pen) were blocked by BW (316 ± 16.6 kg), assigned to low-S (0.27%; LS) or high-S (0.54%; HS; added as CaSO) diets, and supplemented TM at 10 mg Cu, 30 mg Zn, and 20 mg Mn/kg DM from hydroxy (HYD; IntelliBond; Micronutrients USA LLC, Indianapolis, IN) or inorganic (sulfates; ING) sources ( = 12 steers/treatment). Steers were fed corn silage and corn-based diets via GrowSafe bunks in the growing period (GP; 84 d) and finishing period (FP; 77 d), respectively...
September 2017: Journal of Animal Science
https://www.readbyqxmd.com/read/28864154/novel-avian-oropharyngeal-trichomonads-isolated-from-european-turtle-doves-streptopelia-turtur-and-racing-pigeons-columba-livia-genetic-and-morphometric-characterisation-of-clonal-cultures
#6
M C Martínez-Herrero, M M Garijo-Toledo, D Liebhart, P Ganas, R A Martínez-Díaz, F Ponce-Gordo, A Carrero-Ruiz, M Hess, M T Gómez-Muñoz
Extensive diversity has been described within the avian oropharyngeal trichomonad complex in recent years. In this study we developed clonal cultures from four isolates selected by their different ITS1/5.8S/ITS2 (ITS) genotype and their association with gross lesions of avian trichomonosis. Isolates were obtained from an adult racing pigeon and a nestling of Eurasian eagle owl with macroscopic lesions, and from a juvenile wood pigeon and an European turtle dove without clinical signs. Multi-locus sequence typing analysis of the ITS, small subunit of ribosomal rRNA (SSUrRNA) and Fe-hydrogenase (Fe-hyd) genes together with a morphological study by optical and scanning electron microscopy was performed...
August 31, 2017: Infection, Genetics and Evolution
https://www.readbyqxmd.com/read/28794653/real-world-utilization-of-once-daily-extended-release-abuse-deterrent-formulation-of-hydrocodone-a-comparison-with-the-pre-approval-randomized-clinical-trials
#7
Louise Taber, T Christopher Bond, Xuezhe Wang, Aditi Kadakia, Tracy J Mayne
BACKGROUND AND OBJECTIVE: Hydrocodone bitartrate extended release (Hysingla(®) ER, HYD) was previously studied in a 12-week randomized, double-blind, placebo-controlled trial and a 52-week open-label safety study. Both of these preapproval studies allowed dose titration to efficacy. The purpose of the present analysis was to compare dosing and utilization patterns in these previous clinical trials with real-world data (RWD) usage in a retrospective claim analysis performed 12-14 months post approval in the US...
2017: Journal of Pain Research
https://www.readbyqxmd.com/read/28747087/safety-and-effectiveness-of-once-daily-hysingla-extended-release-tablets-in-patients-with-baseline-depression-or-anxiety
#8
Louise Taber, Ellie He, Steven R Ripa
AIM: Long-term safety and effectiveness of a once daily, single-entity, extended-release formulation of hydrocodone bitartrate (HYD) for the treatment of moderate to severe noncancer and nonneuropathic pain among patients with and without concurrent depression/anxiety at baseline. MATERIALS & METHODS: Post hoc analysis. RESULTS: HYD demonstrated a safety profile consistent with μ-opioid agonists: Serious adverse events in 12% patients with depression/anxiety including four deaths; 6% without depression/anxiety including one death...
July 27, 2017: Pain Management
https://www.readbyqxmd.com/read/28732179/kgf-enhances-oral-epithelial-adhesion-and-rete-peg-elongation-via-integrins
#9
G L Sa, X P Xiong, J G Ren, J Y Wang, H F Xia, Z K Liu, S G He, Y F Zhao
Oral epithelial adhesion to the lamina propria underlies the physiologic function of the oral mucosa and contributes to resisting bacterial invasion, preventing body fluid loss, and maintaining routine chewing; thus, understanding the factors that positively influence oral epithelial adhesion is a research topic of great interest. Rete pegs contribute to oral epithelial adhesion by enlarging the contact areas, whereas integrins are the major molecules that mediate epithelial cell adhesion to the basement membrane...
July 1, 2017: Journal of Dental Research
https://www.readbyqxmd.com/read/28718449/the-dual-function-chaperone-hych-improves-assembly-of-the-formate-hydrogenlyase-complex
#10
Ute Lindenstrauß, Philipp Skorupa, Jennifer S McDowall, Frank Sargent, Constanze Pinske
The assembly of multi-protein complexes requires the concerted synthesis and maturation of its components and subsequently their co-ordinated interaction. The membrane-bound formate hydrogenlyase (FHL) complex is the primary hydrogen-producing enzyme in Escherichia coli and is composed of seven subunits mostly encoded within the hycA-I operon for [NiFe]-hydrogenase-3 (Hyd-3). The HycH protein is predicted to have an accessory function and is not part of the final structural FHL complex. In this work, a mutant strain devoid of HycH was characterised and found to have significantly reduced FHL activity due to the instability of the electron transfer subunits...
August 11, 2017: Biochemical Journal
https://www.readbyqxmd.com/read/28713435/comparative-efficacy-and-toxicity-of-different-species-of-sargassum-in-haizao-yuhu-decoction-in-ptu-induced-goiter-rats
#11
Linlin Xiu, Gansheng Zhong, Dianna Liu, Shaohong Chen, Haiyan Liu, Feng Chen
BACKGROUND: Haizao Yuhu Decoction has been widely used to treat thyroid-related diseases especially goiter with few side effects in traditional Chinese medicine (TCM), including herb pair Sargassum (HZ) and Glycyrrhizae Radix et Rhizoma (GC), as one of "eighteen antagonistic medicaments." The two different species of Sargassum, Sargassum fusiforme (Sf) and Sargassum pallidum (Sp), are not clearly differentiated in clinical use, so that herb pair Sf-GC and Sp-GC could show different effect and toxicity...
2017: Evidence-based Complementary and Alternative Medicine: ECAM
https://www.readbyqxmd.com/read/28707284/fixed-dose-versus-off-label-combination-of-isosorbide-dinitrate-plus-hydralazine-hydrochloride-retrospective-propensity-matched-analysis-in-black-medicare-patients-with-heart-failure
#12
Elizabeth Ofili, Inder Anand, Richard Allen Williams, Ola Akinboboye, Liou Xu, Gary Puckrein
INTRODUCTION: Based upon the findings of the African-American Heart Failure Trial, the US Food and Drug Administration approved the fixed-dose combination of isosorbide dinitrate (ISDN) and hydralazine hydrochloride (HYD) (FDC-ISDN/HYD) as a new drug for treatment of heart failure (HF) in self-identified African Americans. According to the FDA, FDC-ISDN/HYD has no therapeutic equivalent. However, off-label combinations of the separate generic drugs ISDN and HYD (OLC-ISDN+HYD) or isosorbide mononitrate (ISMN) and HYD (OLC-ISMN+HYD) are routinely substituted without any supporting outcome data...
August 2017: Advances in Therapy
https://www.readbyqxmd.com/read/28689657/wnt-dependent-inactivation-of-the-groucho-tle-co-repressor-by-the-hect-e3%C3%A2-ubiquitin-ligase-hyd-ubr5
#13
Joshua E Flack, Juliusz Mieszczanek, Nikola Novcic, Mariann Bienz
Extracellular signals are transduced to the cell nucleus by effectors that bind to enhancer complexes to operate transcriptional switches. For example, the Wnt enhanceosome is a multiprotein complex associated with Wnt-responsive enhancers through T cell factors (TCF) and kept silent by Groucho/TLE co-repressors. Wnt-activated β-catenin binds to TCF to overcome this repression, but how it achieves this is unknown. Here, we discover that this process depends on the HECT E3 ubiquitin ligase Hyd/UBR5, which is required for Wnt signal responses in Drosophila and human cell lines downstream of activated Armadillo/β-catenin...
July 20, 2017: Molecular Cell
https://www.readbyqxmd.com/read/28640740/differential-effects-of-isc-operon-mutations-on-the-biosynthesis-and-activity-of-key-anaerobic-metalloenzymes-in-escherichia-coli
#14
Monique Jaroschinsky, Constanze Pinske, R Gary Sawers
Escherichia coli has two machineries for the synthesis of FeS clusters, namely Isc (iron-sulfur cluster) and Suf (sulfur formation). The Isc machinery, encoded by the iscRSUA-hscBA-fdx-iscXoperon, plays a crucial role in the biogenesis of FeS clusters for the oxidoreductases of aerobic metabolism. Less is known, however, about the role of ISC in the maturation of key multi-subunit metalloenzymes of anaerobic metabolism. Here, we determined the contribution of each iscoperon gene product towards the functionality of the major anaerobic oxidoreductases in E...
June 22, 2017: Microbiology
https://www.readbyqxmd.com/read/28488566/expanding-the-substrates-for-a-bacterial-hydrogenlyase-reaction
#15
Ciaran M Lamont, Ciarán L Kelly, Constanze Pinske, Grant Buchanan, Tracy Palmer, Frank Sargent
Escherichia coli produces enzymes dedicated to hydrogen metabolism under anaerobic conditions. In particular, a formate hydrogenlyase (FHL) enzyme is responsible for the majority of hydrogen gas produced under fermentative conditions. FHL comprises a formate dehydrogenase (encoded by fdhF) linked directly to [NiFe]-hydrogenase-3 (Hyd-3), and formate is the only natural substrate known for proton reduction by this hydrogenase. In this work, the possibility of engineering an alternative electron donor for hydrogen production has been explored...
May 10, 2017: Microbiology
https://www.readbyqxmd.com/read/28481921/low-sodium-diet-induces-atherogenesis-regardless-of-lowering-blood-pressure-in-hypertensive-hyperlipidemic-mice
#16
Fernanda B Fusco, Diego J Gomes, Kely C S Bispo, Veronica P Toledo, Denise F Barbeiro, Vera L Capelozzi, Luzia N S Furukawa, Ana P P Velosa, Walcy R Teodoro, Joel C Heimann, Eder C R Quintao, Marisa Passarelli, Edna R Nakandakare, Sergio Catanozi
This study investigated the influence of sodium restriction and antihypertensive drugs on atherogenesis utilizing hypertensive (H) low-density lipoprotein-receptor knockout mice treated or not with losartan (Los) or hydralazine (Hyd) and fed low-sodium (LS) or normal-sodium (NS) chow. Despite reducing the blood pressure (BP) of H-LS mice, the LS diet caused arterial lipid infiltration due to increased plasma total cholesterol (TC) and triglycerides (TG). Los and Hyd reduced the BP of H-LS mice, and Los effectively prevented arterial injury, likely by reducing plasma TG and nonesterified fatty acids...
2017: PloS One
https://www.readbyqxmd.com/read/28470627/use-of-the-yeast-like-cells-of-tremella-fuciformis-as-a-cell-factory-to-produce-a-pleurotus-ostreatus-hydrophobin
#17
Hanyu Zhu, Dongmei Liu, Yuanyuan Wang, Danfeng Ren, Liesheng Zheng, Liguo Chen, Aimin Ma
OBJECTIVES: To obtain hydrophobin, a Class I hydrophobin gene, Po.hyd from Pleurotus ostreatus, was transformed into the yeast-like cells of Tremella fuciformis using Agrobacterium tumefaciens. RESULTS: The hydrophobin Po.HYD from P. ostreatus was heterogeneously expressed by the yeast-like cells of T. fuciformis. Plasmids harboring the Po.hyd gene driven by endogenous glyceraldehyde-3-phosphate dehydrogenase promoter were transformed by A. tumefaciens. The integration and expression of the rPo...
May 3, 2017: Biotechnology Letters
https://www.readbyqxmd.com/read/28425152/nmr-structures-and-molecular-dynamics-simulation-of-hylin-a1-peptide-analogs-interacting-with-micelles
#18
Edson Crusca, Amanda Souza Câmara, Carolina Oliveira Matos, Reinaldo Marchetto, Eduardo Maffud Cilli, Luciano Morais Lião, Aline Lima de Oliveira
Antimicrobial peptides are recognized candidates with pharmaceutical potential against epidemic emerging multi-drug resistant bacteria. In this study, we use nuclear magnetic resonance spectroscopy and molecular dynamics simulations to determine the unknown structure and evaluate the interaction with dodecylphosphatidylcholine (DPC) and sodium dodecylsulphate (SDS) micelles with three W(6) -Hylin-a1 analogs antimicrobial peptides (HyAc, HyK, and HyD). The HyAc, HyK, and HyD bound to DPC micelles are all formed by a unique α-helix structure...
June 2017: Journal of Peptide Science: An Official Publication of the European Peptide Society
https://www.readbyqxmd.com/read/28388567/synthesis-bioactivity-3d-qsar-studies-of-novel-dibenzofuran-derivatives-as-ptp-meg2-inhibitors
#19
Ying Ma, Hui-Yu Wei, Yu-Ze Zhang, Wen-Yan Jin, Hong-Lian Li, Hui Zhou, Xian-Chao Cheng, Run-Ling Wang
PTP-MEG2 plays a critical role in the diverse cell signalling processes, so targeting PTP-MEG2 is a promising strategy for various human diseases treatments. In this study, a series of novel dibenzofuran derivatives was synthesized and assayed for their PTP-MEG2 inhibitory activities. 10a with highest inhibitory activity (320 nM) exhibited significant selectivity for PTP-MEG2 over its close homolog SHP2, CDC25 (IC50 > 50 μM). By means of the powerful ''HipHop'' technique, a 3D-QSAR study was carried out to explore structure activity relationship of these molecules...
June 13, 2017: Oncotarget
https://www.readbyqxmd.com/read/28371835/effectiveness-and-safety-of-once-daily-extended-release-hydrocodone-in-individuals-previously-receiving-immediate-release-oxycodone-for-chronic-pain
#20
Joseph Pergolizzi, Maribeth Kowalski, Ellie He
Objectives. : This study evaluated the safety and effectiveness of a once-daily, single-entity, extended-release hydrocodone bitartrate (HYD) among patients with chronic noncancer and non-neuropathic pain who required opioid rotation from a previous analgesic regimen that primarily consisted of immediate-release (IR) oxycodone. Methods. : Post hoc analyses of a primary study that assessed HYD 20 to 120 mg over a 52-week period are presented. The primary study included a dose titration period (up to 45 days), a 52-week maintenance period, and an optional taper period (up to 14 days)...
March 28, 2017: Pain Medicine: the Official Journal of the American Academy of Pain Medicine
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