keyword
MENU ▼
Read by QxMD icon Read
search

Screening computational

keyword
https://www.readbyqxmd.com/read/27914361/development-of-cxcr4-modulators-by-virtual-hts-of-a-novel-amide-sulfamide-compound-library
#1
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/27914137/is-vitamin-d-an-independent-risk-factor-of-nonalcoholic-fatty-liver-disease-a-cross-sectional-study-of-the-healthy-population
#2
Danbee Park, Hyuktae Kwon, Seung Won Oh, Hee Kyung Joh, Seung Sik Hwang, Jin Ho Park, Jae Moon Yun, Hyejin Lee, Goh Eun Chung, Sangjoon Ze, Jae Hong Park, Yeseul Bae, Arang Lee
The association between vitamin D levels and nonalcoholic fatty liver disease (NAFLD) has been recognized. However, few studies showed independent associations between vitamin D deficiency and NAFLD after a sex-related adjustment for metabolic factors. We aimed to study whether vitamin D deficiency is an independent risk factor of NAFLD even after controlling for metabolic syndrome and visceral fat in both sexes. In this cross-sectional study, 7,514 Korean adults (5,278 men, 2,236 women) participated in a health check-up program...
January 2017: Journal of Korean Medical Science
https://www.readbyqxmd.com/read/27913556/how-does-age-related-macular-degeneration-affect-real-world-visual-ability-and-quality-of-life-a-systematic-review
#3
Deanna J Taylor, Angharad E Hobby, Alison M Binns, David P Crabb
OBJECTIVES: To review systematically the evidence of age-related macular degeneration (AMD) affecting real-world visual ability and quality of life (QoL). To explore trends in specific topics within this body of the literature. DESIGN: Systematic review. METHODS: A systematic literature search was carried out using MEDLINE, EMBASE, CINAHL, PsycINFO, PsychARTICLES and Health and Psychosocial Instruments for articles published up to January 2015 for studies including people diagnosed with AMD, assessing real-world visual ability or QoL as an outcome...
December 2, 2016: BMJ Open
https://www.readbyqxmd.com/read/27913181/squarate-based-carbocyclic-nucleosides-syntheses-computational-analyses-and-anticancer-antiviral-evaluation
#4
Meijun Lu, Qing-Bin Lu, John F Honek
Squaric acid and its derivatives are versatile synthons and have demonstrated applications in medicinal chemistry, notably as non-classical bioisosteric replacements for functional groups such as carboxylic acids, alpha-amino acids, urea, guanidine, peptide bonds and phosphate/pyrophosphate linkages. Surprisingly, no reports have appeared concerning its possible application as a nucleobase substitute in nucleosides. A preliminary investigation of such an application is reported herein. 3-Amino-4-((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino-cyclobut-3-ene-1,2-dione, 3-((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino-4-methoxycyclobut-3-ene-1,2-dione, and 3-hydroxy-4-((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino-cyclobut-3-ene-1,2-dione sodium salt were synthesized...
November 23, 2016: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/27913159/assessing-functional-performance-using-computer-based-simulations-of-everyday-activities
#5
Sara J Czaja, David A Loewenstein, Chin Chin Lee, Shih Hua Fu, Philip D Harvey
Current functional capacity (FC) measures for patients with schizophrenia typically involve informant assessments or are in paper and pencil format, requiring in-person administration by a skilled assessor. This approach presents logistic problems and limits the possibilities for remote assessment, an important issue for these patients. This study evaluated the feasibility of using a computer-based assessment battery, including simulations of everyday activities. The battery was compared to in-person standard assessments of cognition and FC with respect to baseline convergence and sensitivity to group differences...
November 29, 2016: Schizophrenia Research
https://www.readbyqxmd.com/read/27911973/prevalence-of-osteopenia-and-osteoporosis-in-patients-with-noncystic-fibrosis-bronchiectasis
#6
Nathan Diehl, Margaret M Johnson
OBJECTIVE: The objective of our study was to define the prevalence of osteoporosis and osteopenia in patients with noncystic fibrosis bronchiectasis (NCFB). METHODS: We conducted a retrospective chart review of all patients with physician-diagnosed NCFB evaluated at Mayo Clinic Florida between January 1, 2011 and June 3, 2013. RESULTS: A total of 113 patients with physician-diagnosed NCFB and confirmatory findings on computed tomography scan were identified...
December 2016: Southern Medical Journal
https://www.readbyqxmd.com/read/27911825/elucidating-the-druggable-interface-of-protein-protein-interactions-using-fragment-docking-and-coevolutionary-analysis
#7
Fang Bai, Faruck Morcos, Ryan R Cheng, Hualiang Jiang, José N Onuchic
Protein-protein interactions play a central role in cellular function. Improving the understanding of complex formation has many practical applications, including the rational design of new therapeutic agents and the mechanisms governing signal transduction networks. The generally large, flat, and relatively featureless binding sites of protein complexes pose many challenges for drug design. Fragment docking and direct coupling analysis are used in an integrated computational method to estimate druggable protein-protein interfaces...
November 29, 2016: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/27911673/genetic-syndromes-associated-with-central-nervous-system-tumors
#8
Charmi Vijapura, Ehab Saad Aldin, Aristides A Capizzano, Bruno Policeni, Yutaka Sato, Toshio Moritani
Several genetic tumor syndromes have associated central nervous system (CNS) neoplasms. The spectrum of syndromes that have intracranial tumor manifestations includes ataxia telangiectasia, Cowden syndrome, familial adenomatous polyposis, hereditary non-polyposis-related colorectal cancer, Li-Fraumeni syndrome, Gorlin syndrome, neurofibromatosis types 1 and 2, multiple endocrine neoplasia type 1, tuberous sclerosis complex, von Hippel-Lindau disease, and Turcot syndrome. Many of these disorders are inherited in an autosomal dominant fashion, and identification of the associated genetic defects has led to improved understanding of the molecular pathways involved in tumorigenesis, helping pave the way to the emergence of molecularly targeted therapeutics...
December 2, 2016: Radiographics: a Review Publication of the Radiological Society of North America, Inc
https://www.readbyqxmd.com/read/27908833/pilot-evaluation-of-a-method-to-assess-prescribers-information-processing-of-medication-alerts
#9
Alissa L Russ, Brittany L Melton, Joanne K Daggy, Jason J Saleem
BACKGROUND: Prescribers commonly receive alerts during medication ordering. Prescribers work in a complex, time-pressured environment; to enhance the effectiveness of safety alerts, the effort needed to cognitively process these alerts should be minimized. Methods to evaluate the extent to which computerized alerts support prescribers' information processing are lacking. OBJECTIVE: To develop a methodological protocol to assess the extent to which alerts support prescribers' information processing at-a-glance; specifically, the incorporation of information into working memory...
November 28, 2016: Journal of Biomedical Informatics
https://www.readbyqxmd.com/read/27908180/a-novel-approach-to-evaluate-spatial-resolution-of-mri-clinical-images-for-optimization-and-standardization-of-breast-screening-protocols
#10
Marco Borri, Erica D Scurr, Cheryl Richardson, Marianne Usher, Martin O Leach, Maria A Schmidt
PURPOSE: Stringent quality assurance is required in MRI breast screening to ensure that different scanners and imaging protocols reach similar diagnostic performance. The authors propose a methodology, based on power spectrum analysis (PSA), to evaluate spatial resolution in clinical images. To demonstrate this approach, the authors have retrospectively compared two MRI sequences commonly employed in breast screening. METHODS: In a novel approach to PSA, spatial frequency response curves (SFRCs) were extracted from the images...
December 2016: Medical Physics
https://www.readbyqxmd.com/read/27906470/retrospective-evaluation-of-whole-body-computed-tomography-for-tumor-staging-in-dogs-with-primary-appendicular-osteosarcoma
#11
Jessica L Talbott, Sarah E Boston, Rowan J Milner, Amandine Lejeune, Carlos H de M Souza, Kelvin Kow, Nicholas J Bacon, Jorge A Hernandez
OBJECTIVE: To evaluate whole body computed tomography (CT) for staging canine appendicular osteosarcoma. STUDY DESIGN: Retrospective case series. ANIMALS: Client-owned dogs diagnosed with appendicular osteosarcoma (n=39). METHODS: Medical records for client-owned dogs diagnosed with appendicular osteosarcoma from August 2008 to July 2014 were reviewed. Dogs were included if they had a confirmed diagnosis of appendicular osteosarcoma and were staged using whole body CT...
December 1, 2016: Veterinary Surgery: VS
https://www.readbyqxmd.com/read/27906024/rate-of-initial-highly-active-anti-retroviral-therapy-regimen-change-and-its-predictors-among-adult-hiv-patients-at-university-of-gondar-referral-hospital-northwest-ethiopia-a-retrospective-follow-up-study
#12
Degefaye Zelalem Anlay, Zinahbizu Abay Alemayehu, Berihun Assefa Dachew
BACKGROUND: Regimen change is a major challenge for the sustainability of human immunodeficiency virus (HIV) treatment program. In a resource limited setting where treatment options are limited, designing strategies to increase the durability of original regimen are essential. However, information's on rate of initial regimen change and its predictors is scarce in Ethiopia. Therefore, the purpose of this study was to assess the rate of initial highly active anti retroviral therapy (HAART) regimen change and its predictors among adult HIV patients at the University of Gondar Referral Hospital, Northwest Ethiopia...
February 17, 2016: AIDS Research and Therapy
https://www.readbyqxmd.com/read/27905871/phyinformr-phylogenetic-experimental-design-and-phylogenomic-data-exploration-in-r
#13
Alex Dornburg, J Nick Fisk, Jules Tamagnan, Jeffrey P Townsend
BACKGROUND: Analyses of phylogenetic informativeness represent an important step in screening potential or existing datasets for their proclivity toward convergent or parallel evolution of molecular sites. However, while new theory has been developed from which to predict the utility of sequence data, adoption of these advances have been stymied by a lack of software enabling application of advances in theory, especially for large next-generation sequence data sets. Moreover, there are no theoretical barriers to application of the phylogenetic informativeness or the calculation of quartet internode resolution probabilities in a Bayesian setting that more robustly accounts for uncertainty, yet there is no software with which a computationally intensive Bayesian approach to experimental design could be implemented...
December 1, 2016: BMC Evolutionary Biology
https://www.readbyqxmd.com/read/27905547/in-silico-mapping-of-protein-unfolding-mutations-for-inherited-disease
#14
Caitlyn L McCafferty, Yuri V Sergeev
The effect of disease-causing missense mutations on protein folding is difficult to evaluate. To understand this relationship, we developed the unfolding mutation screen (UMS) for in silico evaluation of the severity of genetic perturbations at the atomic level of protein structure. The program takes into account the protein-unfolding curve and generates propensities using calculated free energy changes for every possible missense mutation at once. These results are presented in a series of unfolding heat maps and a colored protein 3D structure to show the residues critical to the protein folding and are available for quick reference...
December 1, 2016: Scientific Reports
https://www.readbyqxmd.com/read/27904246/noninvasive-imaging-of-the-biliary-system-relevant-to-percutaneous-interventions
#15
REVIEW
Stephen Thomas, Kayleen Jahangir
Clinical data such as history, physical examination, and laboratory tests are useful in identifying patients with biliary obstruction and biliary sources of infection. However, if intervention is planned, noninvasive imaging is needed to confirm the presence, location, and extent of the disease process. Currently, the most commonly available and used noninvasive modalities are ultrasound (US), computed tomography (CT), magnetic resonance (MR), and nuclear medicine hepatobiliary scintigraphy (HIDA). US is quick, portable, readily available, and is commonly the first imaging modality used when biliary pathology is suspected...
December 2016: Seminars in Interventional Radiology
https://www.readbyqxmd.com/read/27899916/estdz3-a-new-esterolytic-enzyme-exhibiting-remarkable-thermostability
#16
Dimitra Zarafeta, Zalan Szabo, Danai Moschidi, Hien Phan, Evangelia D Chrysina, Xu Peng, Colin J Ingham, Fragiskos N Kolisis, Georgios Skretas
Lipolytic enzymes that retain high levels of catalytic activity when exposed to a variety of denaturing conditions are of high importance for a number of biotechnological applications. In this study, we aimed to identify new lipolytic enzymes, which are highly resistant to prolonged exposure to elevated temperatures. To achieve this, we searched for genes encoding for such proteins in the genomes of a microbial consortium residing in a hot spring located in China. After performing functional genomic screening on a bacterium of the genus Dictyoglomus, which was isolated from this hot spring following in situ enrichment, we identified a new esterolytic enzyme, termed EstDZ3...
2016: Frontiers in Microbiology
https://www.readbyqxmd.com/read/27899692/jenkins-ci-an-open-source-continuous-integration-system-as-a-scientific-data-and-image-processing-platform
#17
Ioannis K Moutsatsos, Imtiaz Hossain, Claudia Agarinis, Fred Harbinski, Yann Abraham, Luc Dobler, Xian Zhang, Christopher J Wilson, Jeremy L Jenkins, Nicholas Holway, John Tallarico, Christian N Parker
High-throughput screening generates large volumes of heterogeneous data that require a diverse set of computational tools for management, processing, and analysis. Building integrated, scalable, and robust computational workflows for such applications is challenging but highly valuable. Scientific data integration and pipelining facilitate standardized data processing, collaboration, and reuse of best practices. We describe how Jenkins-CI, an "off-the-shelf," open-source, continuous integration system, is used to build pipelines for processing images and associated data from high-content screening (HCS)...
November 29, 2016: Journal of Biomolecular Screening
https://www.readbyqxmd.com/read/27898018/combating-ebola-with-repurposed-therapeutics-using-the-cando-platform
#18
Gaurav Chopra, Sashank Kaushik, Peter L Elkin, Ram Samudrala
Ebola virus disease (EVD) is extremely virulent with an estimated mortality rate of up to 90%. However, the state-of-the-art treatment for EVD is limited to quarantine and supportive care. The 2014 Ebola epidemic in West Africa, the largest in history, is believed to have caused more than 11,000 fatalities. The countries worst affected are also among the poorest in the world. Given the complexities, time, and resources required for a novel drug development, finding efficient drug discovery pathways is going to be crucial in the fight against future outbreaks...
November 25, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27897029/a-method-for-evaluating-the-performance-of-computer-aided-detection-of-pulmonary-nodules-in-lung-cancer-ct-screening-detection-limit-for-nodule-size-and-density
#19
Hajime Kobayashi, Masaki Ohkubo, Akihiro Narita, Janaka C Marasinghe, Kohei Murao, Toru Matsumoto, Shusuke Sone, Shinichi Wada
OBJECTIVES: We propose the application of virtual nodules to evaluate the performance of computer-aided detection (CAD) of lung nodules in cancer screening using low-dose computed tomography (CT). METHODS: The virtual nodules were generated based on the spatial resolution measured for a CT system used in an institution providing cancer screening and were fused into clinical lung images obtained at that institution, allowing site-specificity. First, we validated the virtual nodules as an alternative to artificial nodules inserted into a phantom...
November 29, 2016: British Journal of Radiology
https://www.readbyqxmd.com/read/27896795/intersession-reliability-of-self-selected-and-narrow-stance-balance-testing-in-older-adults
#20
Bryan L Riemann, Kelsey Piersol
BACKGROUND: Despite the common practice of using force platforms to assess balance of older adults, few investigations have examined the reliability of postural screening tests in this population. AIM: We sought to determine the test-retest reliability of self-selected and narrow stance balance testing with eyes open and eyes closed in healthy older adults. METHODS: Thirty older adults (>65 years) completed 45 s trials of eyes open and eyes closed stability tests using self-selected and narrow stances on two separate days (1...
November 28, 2016: Aging Clinical and Experimental Research
keyword
keyword
34910
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"