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https://www.readbyqxmd.com/read/28351017/performance-of-a-docking-molecular-dynamics-protocol-for-virtual-screening-of-nutlin-class-inhibitors-of-mdmx
#1
Nagakumar Bharatham, Kristin E Finch, Jaeki Min, Anand Mayasundari, Michael A Dyer, R Kiplin Guy, Donald Bashford
A virtual screening protocol involving docking and molecular dynamics has been tested against the results of fluorescence polarization assays testing the potency of a series of compounds of the nutlin class for inhibition of the interaction between p53 and Mdmx, an interaction identified as a driver of certain cancers. The protocol uses a standard docking method (AutoDock) with a cutoff based on the AutoDock score (ADscore), followed by molecular dynamics simulation with a cutoff based on root-mean-square-deviation (RMSD) from the docked pose...
February 24, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28350954/integrating-drug-s-mode-of-action-into-quantitative-structure-activity-relationships-for-improved-prediction-of-drug-induced-liver-injury
#2
Leihong Wu, Zhichao Liu, Scott S Auerbach, Ruili Huang, Minjun Chen, Kristin McEuen, Joshua Zhihua Xu, Hong Fang, Weida Tong
Drug-induced liver injury (DILI) is complex in mechanism. Different drugs could undergo different mechanisms but result in the same DILI type while the same drug could lead to different DILI types via different mechanisms. Therefore, predicting a drug's potential for DILI should take its underlying mechanisms into consideration. To achieve that, we constructed a novel approach by incorporating drug's Mode of Action (MOA) into Quantitative Structure-Activity Relationship (QSAR) modeling. This MOA-DILI approach was examined using a dataset of 333 drugs...
March 28, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28350935/screening-for-celiac-disease-evidence-report-and-systematic-review-for-the-us-preventive-services-task-force
#3
Roger Chou, Christina Bougatsos, Ian Blazina, Katherine Mackey, Sara Grusing, Shelley Selph
Importance: Silent or subclinical celiac disease may result in potentially avoidable adverse health consequences. Objective: To review the evidence on benefits and harms of screening for celiac disease in asymptomatic adults, adolescents, and children 3 years and older for the US Preventive Services Task Force. Data Sources: Ovid MEDLINE, Cochrane Central Register of Controlled Trials, and Cochrane Database of Systematic Reviews, searched to June 14, 2016...
March 28, 2017: JAMA: the Journal of the American Medical Association
https://www.readbyqxmd.com/read/28350843/high-hiv-prevalence-and-incidence-among-women-in-southern-mozambique-evidence-from-the-mdp-microbicide-feasibility-study
#4
Sibone Mocumbi, Mitzy Gafos, Khatia Munguambe, Ruth Goodall, Sheena McCormack
BACKGROUND: The study aimed to assess the feasibility of conducting large scale HIV prevention clinical trials in Mozambique by measuring HIV prevalence and incidence among women of reproductive age. This paper describes the baseline socio-demographic characteristics of the Mozambique Microbicides Development Programme (MDP) feasibility cohort, baseline prevalence of HIV and other STIs, and HIV incidence. METHODS: The Mozambique MDP feasibility study was conducted from September 2007 to August 2009 in urban Mavalane and rural Manhiça, in Southern Mozambique...
2017: PloS One
https://www.readbyqxmd.com/read/28350753/what-to-eat-and-drink-in-the-festive-season-a-pan-european-observational-cross-sectional-study
#5
Helen L Parker, Jelena Curcic, Henriette Heinrich, Matthias Sauter, Michael Hollenstein, Werner Schwizer, Edoardo Savarino, Mark Fox
BACKGROUND: Digestive discomfort after meals is common in the community, especially during the festive season. It is uncertain whether this is related to intake of either high-calorie or high-fat foods or, alternatively, intake of specific foods. This prospective, cross-sectional study tested the hypothesis that the risk of reflux or dyspepsia is associated with the fat content of the meal independent of caloric load in a 'real-life' setting. MATERIALS AND METHODS: Four festive meals were served to delegates attending a conference on four consecutive days...
May 2017: European Journal of Gastroenterology & Hepatology
https://www.readbyqxmd.com/read/28350724/prevalence-and-predictors-of-unsatisfactory-anal-cytology-tests-in-a-cohort-of-gay-and-bisexual-men-in-sydney-australia-baseline-findings-from-the-study-of-the-prevention-of-anal-cancer-spanc
#6
David J Templeton, Jennifer M Roberts, I Mary Poynten, Carmella Law, Richard J Hillman, Annabelle Farnsworth, Christopher K Fairley, Sepehr N Tabrizi, Suzanne M Garland, Andrew E Grulich, Fengyi Jin
Anal cytology has been suggested as a screening test for the anal cancer precursor high-grade squamous intraepithelial lesion (HSIL). We aimed to assess the prevalence and predictors of initial unsatisfactory anal cytology tests ('unsats'). The Study of the Prevention of Anal Cancer is a natural history study of anal human papillomavirus (HPV) and precancerous lesions among gay and bisexual men (GBM) of at least 35 years in Sydney, Australia. At each study visit, an anal swab is collected for cytological testing...
May 2017: European Journal of Cancer Prevention
https://www.readbyqxmd.com/read/28350554/high-sensitivity-and-specificity-of-the-cepheid-xpert%C3%A2-hiv-1-qualitative-point-of-care-test-among-newborns-in-botswana
#7
Maryanne Ibrahim, Sikhulile Moyo, Terence Mohammed, Lucy Mupfumi, Simani Gaseitsiwe, Kenneth Maswabi, Gbolahan Ajibola, Rebecca Gelman, Oganne Batlang, Maureen Sakoi, Chloe Auletta-Young, Joseph Makhema, Shahin Lockman, Roger L Shapiro
BACKGROUND: HIV point-of-care (POC) testing allows for early infant HIV diagnosis and treatment, but POC accuracy at birth and in the setting of antiretroviral prophylaxis for the prevention of mother-to-child HIV transmission (MTCT) is unknown. METHODS: We evaluated the Cepheid Xpert® HIV-1 Qual POC test against the Roche Taqman HIV-1 PCR platform using dried blood spots from 15 HIV-infected and 75 HIV-exposed uninfected newborns. These infants were screened for HIV at <96 hours of life at 5 hospital maternity wards in Botswana; all infants received post-exposure antiretroviral prophylaxis (PEP) and most mothers received 3-drug antiretroviral therapy in pregnancy and at delivery...
March 24, 2017: Journal of Acquired Immune Deficiency Syndromes: JAIDS
https://www.readbyqxmd.com/read/28350538/possible-effects-of-neonatal-vitamin-b12-status-on-tsh-screening-program-a-cross-sectional-study-from-turkey
#8
Zerrin Onal, Seda Balkaya, Atilla Ersen, Neval Mutlu, Hasan Onal, Erdal Adal
BACKGROUND: In this study we evaluated whether vitamin B12 deficiency affects neonatal screening (NS) for congenital hypothyroidism (CH). METHODS: A cross-sectional study conducted from 2010 to 2011. A total of 10,740 infants were born in our hospital in this period. Thyroid-stimulating hormone (TSH) was tested for NS and neonates with abnormal screening results (TSH>20 mIU/L) were re-examined. Two hundred and twenty-nine re-called subjects (re-call rate 2.3%) were compared to 77 randomly selected newborns with normal TSH screening among these term newborns in terms of serum TSH, free T4, vitamin B12 and homocysteine status...
March 28, 2017: Journal of Pediatric Endocrinology & Metabolism: JPEM
https://www.readbyqxmd.com/read/28350472/development-of-a-cho-based-cell-free-platform-for-synthesis-of-active-monoclonal-antibodies
#9
Rey W Martin, Natalia I Majewska, Cindy X Chen, Thomas E Albanetti, Rod Brian Jimenez, Albert E Schmelzer, Michael C Jewett, Varnika Roy
Chinese Hamster Ovary (CHO) cells are routinely optimized to stably express monoclonal antibodies (mAbs) at high titers. At the early stages of lead isolation and optimization, hundreds of sequences for the target protein of interest are screened. Typically, cell-based transient expression technology platforms are used for expression screening, but these can be time- and resource-intensive. Here, we have developed a cell-free protein synthesis (CFPS) platform utilizing a commercially available CHO extract for the rapid in vitro synthesis of active, aglycosylated mAbs...
March 28, 2017: ACS Synthetic Biology
https://www.readbyqxmd.com/read/28346957/-a-young-asylum-seeker-with-hemoptysis-and-positive-tuberculosis-screening-not-always-tuberculosis
#10
T Stevens, S B Schwarz, F S Magnet, W Windisch
This paper reports on the case of a 19 year old asylum seeker from Eritrea who presented with hemoptysis, a positive tuberculosis screening (Enzyme Linked Immuno Spot Assay - EliSpot) and mushy faeces submitted with a suspected diagnosis of tuberculosis. Laboratory testing revealed thrombopenia, leukopenia and eosinophilia, while the chest X-ray was inconspicuous. Acid-proof rod bacteria were neither evident in bronchoscopy samples nor in expectorated sputum samples. However, sonographic findings showed a profound splenomegaly, and laboratory testing revealed a Schistosoma mansoni infection...
March 27, 2017: Pneumologie
https://www.readbyqxmd.com/read/28346857/the-influence-of-epicardial-fat-and-nonalcoholic-fatty-liver-disease-on-heart-rate-recovery-in-metabolic-syndrome
#11
Kyoung Im Cho, Eun Ah Jo, Sang Hoon Cho, Bo Hyun Kim
BACKGROUND: Epicardial adipose tissues reflecting visceral fat accumulations of the heart are associated with metabolic syndrome (MetS) and can be a predictor of other cardiometabolic diseases. It can adversely influence autonomic nervous system (ANS) of heart. Heart rate recovery (HRR) is an easy method for measuring ANS dysfunction. The purpose of this study was to determine whether epicardial fat thickness (EFT) and nonalcoholic fatty liver disease (NAFLD) are related to HRR in patients with MetS...
March 27, 2017: Metabolic Syndrome and related Disorders
https://www.readbyqxmd.com/read/28346804/hepatitis-b-and-c-virus-infections-among-human-immunodeficiency-virus-infected-people-who-inject-drugs-in-lahore-pakistan
#12
Sana Mansha, Muhammad Imran, Amir Miraj Ul Hussain Shah, Muhsin Jamal, Fayyaz Ahmed, Muhammad Atif, Muhammmad Saleem, Sher Zaman Safi, Zareen Fatima, Ahmed Bilal Waqar
Hepatitis B virus (HBV) and hepatitis C virus (HCV) are the major cause of the global burden of hepatitis. One of the main routes of transmission for both viruses is through exposure to infected blood, which includes sharing blood-contaminated syringes and needles. Human immunodeficiency virus (HIV) attacks the immune system and results in acquired immune deficiency syndrome and opportunistic infections. The objective of this study was to assess the epidemiology of HBV and HCV infections among HIV-infected people who inject drugs (PWID)...
March 27, 2017: Viral Immunology
https://www.readbyqxmd.com/read/28346800/using-chemoinformatics-bioinformatics-and-bioassay-to-predict-and-explain-the-antibacterial-activity-of-nonantibiotic-food-and-drug-administration-drugs
#13
Nour Aldin Kahlous, Muhammad Al Mohdi Bawarish, Muhammad Arabi Sarhan, Manfred Küpper, Ali Hasaba, Mazen Rajab
Discovering of new and effective antibiotics is a major issue facing scientists today. Luckily, the development of computer science offers new methods to overcome this issue. In this study, a set of computer software was used to predict the antibacterial activity of nonantibiotic Food and Drug Administration (FDA)-approved drugs, and to explain their action by possible binding to well-known bacterial protein targets, along with testing their antibacterial activity against Gram-positive and Gram-negative bacteria...
March 27, 2017: Assay and Drug Development Technologies
https://www.readbyqxmd.com/read/28346690/the-benefits-and-limitations-of-cell-free-dna-screening-for-47-xxy-klinefelter-syndrome
#14
Carole Samango-Sprouse, Colleen Keen, Teresa Sadeghin, Andrea Gropman
OBJECTIVE: The purpose of this paper is to provide an overview of the 47, XXY syndrome, which is the most commonly occurring X and Y chromosomal variation. This paper seeks to review what is currently known of noninvasive prenatal testing (NIPT) and 47, XXY, and investigate potential risks and benefits of prenatal identification. METHOD: A literature review of NIPT and 47, XXY was performed to identify limitations of current NIPT techniques. RESULTS: As NIPT becomes an increasingly more routine procedure, prenatal findings of 47, XXY may increase...
March 27, 2017: Prenatal Diagnosis
https://www.readbyqxmd.com/read/28346669/evaluation-of-a-point-of-care-electrochemical-meter-to-detect-subclinical-ketosis-and-hypoglycaemia-in-lactating-dairy-cows
#15
A Zakian, M Tehrani-Sharif, M R Mokhber-Dezfouli, M Nouri, P D Constable
OBJECTIVES: To evaluate and validate a hand-held electrochemical meter (Precision Xtra®) as a screening test for subclinical ketosis and hypoglycaemia in lactating dairy cattle. DESIGN: Method comparison study using a convenience sample. PROCEDURE: Blood samples were collected into plain tubes from the coccygeal vessels of 181 Holstein cows at 2-4 weeks of lactation during summer in Iran. Blood β-hydroxybutyrate concentration (BHB) and glucose concentration were immediately measured by the electrochemical meter after applying 20 μL of blood to the reagent strip...
April 2017: Australian Veterinary Journal
https://www.readbyqxmd.com/read/28346659/is-universal-hla-b-15-02-screening-a-cost-effective-option-in-an-ethnically-diverse-population-a-case-study-of-malaysia
#16
H Y Chong, Z Mohamed, L L Tan, D B C Wu, F H Shabaruddin, M Dahlui, Y D Apalasamy, S R Snyder, M S Williams, J Hao, L H Cavallari, N Chaiyakunapruk
BACKGROUND: Strong association was documented between human leukocyte antigen (HLA)-B*15:02 and carbamazepine-induced severe cutaneous adverse reactions (SCARs) in Asians. Beyond Asia, the HLA testing is potentially valuable in many countries with increasingly diverse communities of Asian ancestry, to facilitate an early recognition of patient susceptibility to SCARs. OBJECTIVE: To determine the cost-effectiveness of universal HLA-B*15:02 screening in preventing carbamazepine-induced Stevens-Johnson syndrome/ toxic epidermal necrolysis in an ethnically-diverse Malaysian population...
March 27, 2017: British Journal of Dermatology
https://www.readbyqxmd.com/read/28346641/speech-perception-and-auditory-performance-following-cochlear-implantation-in-elderly-koreans
#17
Sungsu Lee, Hyong-Joo Park, Hyong-Ho Cho, Yong-Beom Cho
The benefits of cochlear implantation (CI) in the elderly remain debatable in terms of sound and speech perception. Moreover, the results of CI may be affected by the intensity and pitch of spoken language. We conducted a retrospective study to evaluate surgical and hospitalization times, postoperative complications, and hearing outcomes after CI in elderly Koreans. Our study population was made up of 55 postlingually deafened adults who underwent unilateral CI. They were divided into two groups based on age; an older group consisted of 21 patients aged 65 years or older (mean 71...
March 2017: Ear, Nose, & Throat Journal
https://www.readbyqxmd.com/read/28346570/tolerance-and-long-term-efficacy-of-polyethylene-glycol-4000-forlax%C3%A2-compared-to-lactulose-in-elderly-patients-with-chronic-constipation
#18
P Chassagne, P Ducrotte, P Garnier, H Mathiex-Fortunet
OBJECTIVES: To assess the tolerance and potential nutritional consequences of long-term repeated doses of PEG 4000 (10 to 30 g/day) in elderly patients with chronic constipation as compared to lactulose (10-30 g/day). DESIGN: Single blind, randomised, multicentre, parallel group comparative study. SETTING: Community-dwelling patients and nursing homes residents aged 70 years and older with a history of chronic constipation. Treatment intervention: PEG 4000 (10-30 g/day) or lactulose (10-30 g/day) for six months...
2017: Journal of Nutrition, Health & Aging
https://www.readbyqxmd.com/read/28346436/detailed-comparison-of-retroviral-vectors-and-promoter-configurations-for-stable-and-high-transgene-expression-in-human-induced-pluripotent-stem-cells
#19
D Hoffmann, J W Schott, F K Geis, L Lange, F-J Müller, D Lenz, D Zychlinski, D Steinemann, M Morgan, T Moritz, A Schambach
Correction of patient-specific induced pluripotent stem cells (iPSC) upon gene delivery through retroviral vectors offers new treatment perspectives for monogenetic diseases. Gene-modified iPSC clones can be screened for safe integration sites and differentiated into transplantable cells of interest. However, the current bottleneck is epigenetic vector silencing. In order to identify the most suitable retroviral expression system in iPSC, we systematically compared vectors from different retroviral genera, different promoters and their combination with ubiquitous chromatin opening elements (UCOE), and several envelope pseudotypes...
March 27, 2017: Gene Therapy
https://www.readbyqxmd.com/read/28346364/new-benzimidazole-1-2-4-triazole-hybrid-compounds-synthesis-anticandidal-activity-and-cytotoxicity-evaluation
#20
Hülya Karaca Gençer, Ulviye Acar Çevik, Serkan Levent, Begüm Nurpelin Sağlık, Büşra Korkut, Yusuf Özkay, Sinem Ilgın, Yusuf Öztürk
Owing to the growing need for antifungal agents, we synthesized a new series 2-((5-(4-(5-substituted-1H-benzimidazol-2-yl)phenyl)-4-substituted-4H-1,2,4-triazol-3-yl)thio)-1-(substitutedphenyl)ethan-1-one derivatives, which were tested against Candida species. The synthesized compounds were characterized and elucidated by FT-IR, ¹H-NMR, (13)C-NMR and HR-MS spectroscopies. The synthesized compounds were screened in vitro anticandidal activity against Candida species by broth microdiluation methods. In vitro cytotoxic effects of the final compounds were determined by MTT assay...
March 27, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
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