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https://www.readbyqxmd.com/read/27914364/structure-based-exploration-and-exploitation-of-the-s4-subsite-of-norovirus-3cl-protease-in-the-design-of-potent-and-permeable-inhibitors
#1
Anushka C Galasiti Kankanamalage, Yunjeong Kim, Athri D Rathnayake, Vishnu C Damalanka, Pathum M Weerawarna, Sean T Doyle, Amer F Alsoudi, D M Padmasankha Dissanayake, Gerald H Lushington, Nurjahan Mehzabeen, Kevin P Battaile, Scott Lovell, Kyeong-Ok Chang, William C Groutas
Human noroviruses are the primary cause of epidemic and sporadic acute gastroenteritis. The worldwide high morbidity and mortality associated with norovirus infections, particularly among the elderly, immunocompromised patients and children, constitute a serious public health concern. There are currently no approved human vaccines or norovirus-specific small-molecule therapeutics or prophylactics. Norovirus 3CL protease has recently emerged as a potential therapeutic target for the development of anti-norovirus agents...
November 14, 2016: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27914363/new-insights-into-the-sar-and-drug-combination-synergy-of-2-quinolin-4-yloxy-acetamides-against-mycobacterium-tuberculosis
#2
Bruno Couto Giacobbo, Kenia Pissinate, Valnês Rodrigues-Junior, Anne Drumond Villela, Estêvão Silveira Grams, Bruno Lopes Abbadi, Fernanda Teixeira Subtil, Nathalia Sperotto, Rogério Valim Trindade, Davi Fernando Back, Maria Martha Campos, Luiz Augusto Basso, Pablo Machado, Diógenes Santiago Santos
2-(Quinolin-4-yloxy)acetamides have been described as potent and selective in vitro inhibitors of Mycobacterium tuberculosis (Mtb) growth. Herein, a new series of optimized compounds were found to demonstrate highly potent antitubercular activity, with minimum inhibitory concentration (MIC) values against drug-susceptible and drug-resistant Mycobacterium tuberculosis strains in the submicromolar range. Furthermore, the most active compounds had no apparent toxicity to mammalian cells, and they showed intracellular activities similar to those of isoniazid and rifampin in a macrophage model of Mtb infection...
November 23, 2016: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27914361/development-of-cxcr4-modulators-by-virtual-hts-of-a-novel-amide-sulfamide-compound-library
#3
Renren Bai, Qi Shi, Zhongxing Liang, Younghyoun Yoon, Yiran Han, Amber Feng, Shuangping Liu, Yoonhyeun Oum, C Chris Yun, Hyunsuk Shim
CXCR4 plays a crucial role in recruitment of inflammatory cells to inflammation sites at the beginning of the disease process. Modulating CXCR4 functions presents a new avenue for anti-inflammatory strategies. However, using CXCR4 antagonists for a long term usage presents potential serious side effect due to their stem cell mobilizing property. We have been developing partial CXCR4 antagonists without such property. A new computer-aided drug design program, the FRESH workflow, was used for anti-CXCR4 lead compound discovery and optimization, which coupled both compound library building and CXCR4 docking screens in one campaign...
November 24, 2016: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27914360/white-blood-cell-count-and-new-onset-atrial-fibrillation-after-cardiac-surgery
#4
Kirolos A Jacob, Marc P Buijsrogge, Jos F Frencken, Maarten J Ten Berg, Willem J L Suyker, Diederik van Dijk, Jan M Dieleman
BACKGROUND: Postoperative new-onset atrial fibrillation (PNAF) is the most common complication following cardiac surgery. The inflammatory response, as a potential underlying mechanism, has been extensively studied. In small studies, the white blood cell count (WBC) has been shown to be the only consistent inflammatory marker associated with PNAF. This study aimed to determine the association between perioperative WBC response and PNAF in a larger study cohort. METHODS: Patients ≥18years, undergoing elective cardiac surgery with a preoperative sinus rhythm were included...
November 17, 2016: International Journal of Cardiology
https://www.readbyqxmd.com/read/27914358/defining-the-role-of-perioperative-statin-treatment-in-patients-after-cardiac-surgery-a-meta-analysis-and-systematic-review-of-20-randomized-controlled-trials
#5
Xin Yuan, Jianlin Du, Qi Liu, Ling Zhang
BACKGROUND: Although statin use has been indicated to prevent atrial fibrillation in previous observational and experimental trials, the issue remains inadequately and insufficiently explored. We therefore performed this meta-analysis to evaluate the effects of perioperative statin therapy on complications and short-term prognosis following cardiac surgery. METHODS: A search of the PubMed, EMBASE and the Cochrane database of controlled trials was performed from inception to June 2016 to identify relevant randomized controlled trials (RCTs)...
November 9, 2016: International Journal of Cardiology
https://www.readbyqxmd.com/read/27914355/characterisation-of-fine-grained-tailings-from-a-marble-processing-plant-and-their-acute-effects-on-the-copepod-calanus-finmarchicus
#6
Julia Farkas, Dag Altin, Karen M Hammer, Kaja C Hellstrøm, Andy M Booth, Bjørn Henrik Hansen
Submarine tailing disposal (STD) of mining waste is practiced as an alternative to land fill disposal in several countries. Knowledge regarding the environmental implications of STD on fjord and other marine ecosystems, including the pelagic environment, is scarce. In this study, we characterised the particle shape, size and metal content of the fine-grained fraction of tailings (FGT) from a Norwegian marble processing plant and investigated their acute toxicity and impact on feeding rate in adult Calanus finmarchicus...
November 30, 2016: Chemosphere
https://www.readbyqxmd.com/read/27914350/phosphorus-flows-in-a-peri-urban-region-with-intensive-food-production-a-case-study
#7
S Bittman, S C Sheppard, D Poon, D E Hunt
Excess phosphorus (P) in peri-urban regions is an emerging issue, whereas there is global depletion of quality mined supplies of P. The flow of P across the landscape leading to regional surpluses and deficits is not well understood. We computed a regional P budget with internal P flows in a fairly discreet peri-urban region (Lower Fraser Valley, BC) with closely juxtaposed agricultural and non-agricultural urban ecosystems, in order to clarify the relationship between food production, food consumption and other activities involving use of P (e...
November 30, 2016: Journal of Environmental Management
https://www.readbyqxmd.com/read/27914342/cu3-btc-2-catalyzed-dehydrogenative-coupling-of-dimethylphenylsilane-with-phenol-and-homocoupling-of-dimethylphenylsilane-to-disiloxane
#8
Nagaraj Anbu, Amarajothi Dhakshinamoorthy
Cu3(BTC)2 (BTC: 1,3,5-benzenetricarboxylic acid) showed to be an efficient and reusable heterogeneous solid catalyst for the formation of SiO bond through dehydrogenative coupling of dimethylphenylsilane (1) with phenol under mild reaction conditions. It is observed that Fe(BTC), MIL-101(Cr) and UiO-66(Zr) are not able to promote this cross coupling between 1 and phenol. Cu3(BTC)2 exhibits higher stability and activity compared to other MOFs studied here. Furthermore, Cu3(BTC)2 is reused for three consecutive cycles with a slight decay in its activity...
November 24, 2016: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/27914338/dopamine-conjugated-poly-lactic-co-glycolic-acid-nanoparticles-for-protein-delivery-to-macrophages
#9
Song Yi Lee, Hyun-Jong Cho
Poly(lactic-co-glycolic acid)-dopamine (PLGA-D)-based nanoparticles (NPs) were developed for the delivery of protein to macrophages. PLGA-D was synthesized via amide bond formation between the amine group of D and the carboxylic acid group of PLGA. Bovine serum albumin (BSA, model protein) was encapsulated in PLGA NPs and PLGA-D NPs, which had an approximately 200nm mean diameter, <0.2 polydispersity index, and negative zeta potential value. There was no increment in the mean diameters of BSA-loaded NPs after 24h of incubation in biological fluid-simulated media (i...
November 23, 2016: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/27914321/functional-regulation-of-ginsenoside-biosynthesis-by-rna-interferences-of-a-udp-glycosyltransferase-gene-in-panax-ginseng-and-panax-quinquefolius
#10
Chao Lu, Shoujing Zhao, Guanning Wei, Huijuan Zhao, Qingling Qu
Panax ginseng (Asian ginseng) and Panax quinquefolius (American ginseng) have been used as medicinal and functional herbal remedies worldwide. Different properties of P. ginseng and P. quinquefolius were confirmed not only in clinical findings, but also at cellular and molecular levels. The major pharmacological ingredients of P. ginseng and P. quinquefolius are the triterpene saponins known as ginsenosides. The P. ginseng roots contain a higher ratio of ginsenoside Rg1:Rb1 than that in P. quinquefolius...
November 25, 2016: Plant Physiology and Biochemistry: PPB
https://www.readbyqxmd.com/read/27914319/intolerance-of-uncertainty-scale-measurement-invariance-among-adolescent-boys-and-girls-and-relationships-with-anxiety-and-risk-taking
#11
Laura M S Dekkers, Brenda R J Jansen, Elske Salemink, Hilde M Huizenga
BACKGROUND AND OBJECTIVES: Adolescence-related increases in both anxiety and risk taking may originate in variability in Intolerance of Uncertainty (IU), rendering the study of IU of importance. We therefore studied the psychometric properties of the Intolerance of Uncertainty Scale-Short version (IUS-12), including its associations with trait anxiety and risk taking, among adolescents. METHODS: A sample of 879 Dutch adolescents, from diverse educational levels, and with an equal distribution of boys and girls, was classically tested...
November 21, 2016: Journal of Behavior Therapy and Experimental Psychiatry
https://www.readbyqxmd.com/read/27914316/does-the-proportion-of-pay-linked-to-performance-affect-the-job-satisfaction-of-general-practitioners
#12
Thomas Allen, William Whittaker, Matt Sutton
There is concern that pay-for-performance (P4P) can negatively affect general practitioners (GPs) by reducing their autonomy, increasing their wage dispersion or eroding their intrinsic motivation. This is especially a concern for the Quality and Outcomes Framework (QOF), a highly powered P4P scheme for UK GPs. The QOF affected all GPs but the exposure of their income to P4P varied. GPs did not know their level of exposure before the QOF was introduced and could not choose or manage it. We examine whether changes in GPs' job satisfaction before and after the introduction of the QOF in 2004 were correlated with the proportion of their income that became exposed to P4P...
November 24, 2016: Social Science & Medicine
https://www.readbyqxmd.com/read/27914315/and-justice-for-all-examining-corruption-as-a-contextual-source-of-mental-illness
#13
Ioana van Deurzen
In the present study, I focus on the relationship between corruption and mental health as measured by the level of depressive symptoms. I use data collected by the European Social Survey in 2006, 2012 and 2014 from 99,159 individuals that lived in 24 European countries. I employ two types of analyses: static analyses, i.e., multilevel models estimated in each wave, and dynamic analyses, i.e., fixed effects models for pseudo-panel data. Both static and dynamic analyses suggested that corruption had a detrimental effect on mental health...
November 25, 2016: Social Science & Medicine
https://www.readbyqxmd.com/read/27914293/diethylcarbamazine-attenuates-lps-induced-acute-lung-injury-in-mice-by-apoptosis-of-inflammatory-cells
#14
Ingrid Tavares Fragoso, Edlene Lima Ribeiro, Fabiana Oliveira Dos Santos Gomes, Mariana Aragão Matos Donato, Amanda Karolina Soares Silva, Amanda Costa O de Oliveira, Shyrlene Meiry da Rocha Araújo, Karla Patrícia Sousa Barbosa, Laise Aline Martins Santos, Christina Alves Peixoto
BACKGROUND: Acute lung injury (ALI) is characterized by extensive neutrophil infiltration, and apoptosis delay considered part of the pathogenesis of the condition. Despite great advances in treatment strategies, few effective therapies are known for ALI. Diethylcarbamazine (DEC) is used against lymphatic filariasis, a number of studies have described its anti-inflammatory activities and pro-apoptotic effect. These properties have been associated with nuclear factor kappa-B inactivation...
September 24, 2016: Pharmacological Reports: PR
https://www.readbyqxmd.com/read/27914290/the-interaction-of-surfactants-with-plastic-and-copper-plumbing-materials-during-decontamination
#15
Karen S Casteloes, Gamini P Mendis, Holly K Avins, John A Howarter, Andrew J Whelton
The study goal was to examine the effectiveness of surfactants to decontaminate plastic and copper potable water plumbing components. Several common potable water pipe and gasket plastics were examined as well as Alconox(®) detergent, Dawn(®) soap, and MAGIT-DG 100 surfactants. Results showed that the MAGIT-DG 100 solutions permeated all plastics within 3days, effectively compromising tensile strength (-82%), physical dimension (+43% volume, +45% weight), and oxidative resistance (-15%). A variety of MAGIT-DG 100 solution compounds permeated plastic samples, not just the declared major ingredient...
November 25, 2016: Journal of Hazardous Materials
https://www.readbyqxmd.com/read/27914279/identification-and-quantification-of-4-methylethcathinone-4-mec-and-3-4-methylenedioxypyrovalerone-mdpv-in-hair-by-lc-ms-ms-after-chronic-administration
#16
Jean Claude Alvarez, Isabelle Etting, Emuri Abe, Antoine Villa, Nicolas Fabresse
4-Methylethcathinone (4-MEC) and 3,4-methylenedioxypyrovalerone (MDPV) are synthetic cathinones. The objective of this study was to develop a method in order to measure these compounds in hair of a patient. After decontamination, 20mg of hair were grinded and incubated in phosphate buffer pH 5.0 in presence of 100ng of MDMA-d5 used as internal standard. Double basic liquid-liquid extraction was performed. Samples were separated on a 1.9μm Hypersil GOLD PFP column (100×2.1mm) using gradient elution. Compounds were detected by a LCQ TSQ Vantage XP triple-quadrupole mass spectrometer...
November 24, 2016: Forensic Science International
https://www.readbyqxmd.com/read/27914274/the-adaptive-psychological-changes-of-elective-induction-of-labor-in-breastfeeding-women
#17
Vincenzo Zanardo, Martina Bertin, Laura Sansone, Laura Felice
BACKGROUND: Labor induction has been associated with breastfeeding suppression, but reasons for why this association exists have not been well determined. METHODS: We examined the influence of elective labor induction by vaginal prostaglandin at gestational week 41(+3)days on affective, cognitive, and behavioural adaptations early in puerperium and on breastfeeding pattern at 1 and 3months. RESULTS: One hundred and eighty consecutive puerperae were assigned to two groups: mothers having received vaginal prostaglandin E2 gel (Prepidil®, dinoprostone) before labor (PGE group, n=90) and mothers having received no treatment (unmedicated group, n=90)...
November 30, 2016: Early Human Development
https://www.readbyqxmd.com/read/27914263/positive-effects-of-low-intensity-recorded-maternal-voice-on-physiologic-reactions-in-premature-infants
#18
Negar Sajjadian, Mahboobeh Mohammadzadeh, Peymaneh Alizadeh Taheri, Mamak Shariat
OBJECTIVE: To evaluate the effect of low intensity recorded maternal voice on the physiologic reactions of healthy premature infants in the neonatal intensive care unit (NICU). METHODS: Physiologic responses of 20 healthy preterm infants in the NICU of Shariati Hospital, Tehran, were obtained during a 15min intervention including three 5min periods (no-sound control, audio recorded playback of mother's voice, no-sound post-voice). The intervention was presented three times a day for three consecutive days...
November 30, 2016: Infant Behavior & Development
https://www.readbyqxmd.com/read/27914256/the-effect-of-sambucus-nigra-l-extract-and-phytosinthesized-gold-nanoparticles-on-diabetic-rats
#19
Razvan Opris, Corina Tatomir, Diana Olteanu, Remus Moldovan, Bianca Moldovan, Luminita David, Andras Nagy, Nicoleta Decea, Mihai Ludovic Kiss, Gabriela Adriana Filip
Nanomaterials such as gold nanoparticles (NPs) conjugated with natural products have shown good results in lowering the glycated hemoglobin and have an anti-inflamatory effect. The aim of our study is to evaluate the antidiabetic effect of NPs functionalized with Sambucus nigra L. (SN) extract on experimental model of diabetes in rats. Diabetes was induced to 18 Wistar male rats (n=6) by a single intramuscular injection of streptozotocin (30mg/kg body weight - b.w.). SN extract (15mg/kg b.w.), NPs (0.3mg/kg b...
November 27, 2016: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/27914252/synthesis-of-copper-containing-bioactive-glass-nanoparticles-using-a-modified-st%C3%A3-ber-method-for-biomedical-applications
#20
Kai Zheng, Xinyi Dai, Miao Lu, Norbert Hüser, Nicola Taccardi, Aldo R Boccaccini
Copper (Cu)-containing bioactive glasses (BGs) are attracting attention for bone regeneration and wound healing since they have bone-bonding capability and potential osteogenesis and angiogenesis properties. In this study, highly dispersed and spherical Cu-containing bioactive glass nanoparticles (Cu-BGNs) were successfully synthesized via a modified Stöber method. The content of incorporated Cu in the particles could be tailored by adjusting the amount of the added Cu precursor, a procedure that had no significant effects on the morphological and structural characteristics of the nanoparticles...
November 15, 2016: Colloids and Surfaces. B, Biointerfaces
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