Search results for "orl"

showing 10 items of 1863 documents

Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning.

2021

Coronavirus disease 2019 (COVID-19) is a major threat worldwide due to its fast spreading. As yet, there are no established drugs available. Speeding up drug discovery is urgently required. We applied a workflow of combined in silico methods (virtual drug screening, molecular docking and supervised machine learning algorithms) to identify novel drug candidates against COVID-19. We constructed chemical libraries consisting of FDA-approved drugs for drug repositioning and of natural compound datasets from literature mining and the ZINC database to select compounds interacting with SARS-CoV-2 target proteins (spike protein, nucleocapsid protein, and 2′-o-ribose methyltransferase). Supported by…

0301 basic medicineSimeprevirArtificial intelligencevirusesMERS Middle East Respiratory SyndromeHealth InformaticsBiologyMachine learningcomputer.software_genremedicine.disease_causeAntiviral AgentsArticleWHO World Health OrganizationAUC area under the curve03 medical and health sciences0302 clinical medicinessRNA single-stranded RNA virusmedicineChemotherapyHumansSARS severe acute respiratory syndromeCOVID-19 coronavirus disease 2019CoronavirusNatural productsVirtual screeningACE2 angiotensin converting enzyme 2Drug discoverybusiness.industrySARS-CoV-2COVID-19LBE lowest binding energyFDA Food and Drug AdministrationROC receiver operating characteristicComputer Science ApplicationsHIV human immunodeficiency virusMolecular Docking SimulationDrug repositioning030104 developmental biologyDrug developmentSevere acute respiratory syndrome-related coronavirusParitaprevirInfectious diseasesRespiratory virusArtificial intelligenceSupervised Machine Learningbusinesscomputer030217 neurology & neurosurgeryComputers in biology and medicine
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Reactome diagram viewer: data structures and strategies to boost performance

2017

Abstract Motivation Reactome is a free, open-source, open-data, curated and peer-reviewed knowledgebase of biomolecular pathways. For web-based pathway visualization, Reactome uses a custom pathway diagram viewer that has been evolved over the past years. Here, we present comprehensive enhancements in usability and performance based on extensive usability testing sessions and technology developments, aiming to optimize the viewer towards the needs of the community. Results The pathway diagram viewer version 3 achieves consistently better performance, loading and rendering of 97% of the diagrams in Reactome in less than 1 s. Combining the multi-layer html5 canvas strategy with a space partit…

0301 basic medicineStatistics and ProbabilityDatabases FactualComputer scienceKnowledge BasesDatabases and OntologiesBiochemistryWorld Wide Web03 medical and health sciences0302 clinical medicineHumansMolecular BiologyInternetComputational BiologyData structureOriginal PapersComputer Science ApplicationsVisualizationComputational Mathematics030104 developmental biologyComputational Theory and Mathematics030220 oncology & carcinogenesisScalabilityAlgorithmsMetabolic Networks and PathwaysSoftwareBioinformatics
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dAPE: a web server to detect homorepeats and follow their evolution.

2016

Abstract Summary Homorepeats are low complexity regions consisting of repetitions of a single amino acid residue. There is no current consensus on the minimum number of residues needed to define a functional homorepeat, nor even if mismatches are allowed. Here we present dAPE, a web server that helps following the evolution of homorepeats based on orthology information, using a sensitive but tunable cutoff to help in the identification of emerging homorepeats. Availability and Implementation dAPE can be accessed from http://cbdm-01.zdv.uni-mainz.de/∼munoz/polyx. Supplementary information Supplementary data are available at Bioinformatics online.

0301 basic medicineStatistics and ProbabilityRepetitive Sequences Amino AcidWeb serverInternetComputer sciencecomputer.software_genreBiochemistryApplications NotesComputer Science ApplicationsWorld Wide WebEvolution Molecular03 medical and health sciencesComputational Mathematics030104 developmental biologyComputational Theory and MathematicsAnimalsHumansData miningMolecular BiologycomputerSequence AlignmentSequence AnalysisSoftwareBioinformatics (Oxford, England)
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bookdown: Authoring Books and Technical Documents with R Markdown

2018

0301 basic medicineStatistics and Probabilitybusiness.industry030232 urology & nephrologycomputer.software_genreTechnical documentationWorld Wide Web03 medical and health sciences030104 developmental biology0302 clinical medicineMedicineStatistics Probability and Uncertaintybusinesslcsh:Statisticslcsh:HA1-4737computerSoftwareMarkdownJournal of Statistical Software
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The most well kept secret, embryo culture media: a smart reveal from an expert.

2017

0301 basic medicineWorld Wide WebEmbryo Culture Techniques03 medical and health sciences030219 obstetrics & reproductive medicine030104 developmental biology0302 clinical medicineReproductive MedicineComputer scienceObstetrics and GynecologyEmbryo cultureEmbryo TransferCulture MediaFertility and sterility
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CD38-Specific Biparatopic Heavy Chain Antibodies Display Potent Complement-Dependent Cytotoxicity Against Multiple Myeloma Cells

2018

CD38 is overexpressed by multiple myeloma cells and has emerged as a target for therapeutic antibodies. Nanobodies are soluble single domain antibody fragments derived from the VHH variable domain of heavy chain antibodies naturally occurring in camelids. We previously identified distinct llama nanobodies that recognize three non-overlapping epitopes of the extracellular domain of CD38. Here, we fused these VHH domains to the hinge, CH2, and CH3 domains of human IgG1, yielding highly soluble chimeric llama/human heavy chain antibodies (hcAbs). We analyzed the capacity of these hcAbs to mediate complement-dependent cytotoxicity (CDC) to CD38-expressing human multiple myeloma and Burkitt lymp…

0301 basic medicinelcsh:Immunologic diseases. AllergyRecombinant Fusion ProteinsImmunologyAntineoplastic AgentsEpitope03 medical and health sciencesbiparatopic antibodiesAntigens Neoplasmhemic and lymphatic diseasesCell Line TumorAntibodies BispecificImmunology and AllergyAnimalsHumansCytotoxicitycomplement-dependent cytotoxicityOriginal ResearchHeavy-chain antibodybiologyheavy chain antibodyantibody engineeringChemistryAntibody-Dependent Cell CytotoxicityDaratumumabAntibodies MonoclonalComplement System ProteinsSingle-Domain AntibodiesADP-ribosyl Cyclase 1Complement-dependent cytotoxicityCell biologymultiple myelomananobody030104 developmental biologySingle-domain antibodyCell culturebiology.proteinEpitopes B-LymphocyteImmunotherapyAntibodylcsh:RC581-607Immunoglobulin Heavy ChainsCamelids New WorldCD38Frontiers in Immunology
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WHO delays guinea-worm disease eradication to 2020: are dogs the sole culprits?

2017

0301 basic medicinemedicine.medical_specialtyDisease reservoirDisease Eradicationbusiness.industry030231 tropical medicineDracunculiasis030108 mycology & parasitologyWorld Health Organization03 medical and health sciences0302 clinical medicineInfectious DiseasesDogsInternal medicineAfricamedicineAnimalsDog DiseasesDisease EradicationbusinessDisease ReservoirsThe Lancet. Infectious diseases
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Real-World Patterns of Pharmacotherapeutic Management of Asthma Patients With Exacerbations in the Spanish National Health System

2020

Background Little is known about the real1world characteristics of asthma patients with exacerbations or their pharmacotherapeutic management. We described the sociodemographic and clinical characteristics, and the patterns of short and long-term management of asthma attacks, in a population-wide cohort of exacerbators in the region of Valencia, Spain. Methods We selected asthma patients with at least one exacerbation in 2015 and 2016, we classified them according to their patterns of exacerbations in the 4 years previous to the index exacerbation and their therapeutic step at baseline based on medication received in the previous year. We described the short and long-term pharmacological ma…

0301 basic medicinemedicine.medical_specialtyExacerbationPopulationDiseasereal-world cohortpharmacotherapy03 medical and health sciencesexacerbation0302 clinical medicinePharmacotherapyMaintenance therapyInternal medicinemedicinePharmacology (medical)Medical prescriptioneducationOriginal ResearchAsthmaPharmacologyeducation.field_of_studybusiness.industrylcsh:RM1-950asthmamedicine.diseasepopulation-basedlcsh:Therapeutics. Pharmacologystepwise approach030104 developmental biology030220 oncology & carcinogenesisCohortbusinessFrontiers in Pharmacology
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Administrative Coding in Electronic Health Care Record‐Based Research of NAFLD: An Expert Panel Consensus Statement

2021

BACKGROUND AND AIMS: Electronic health record (EHR)-based research allows the capture of large amounts of data, which is necessary in nonalcoholic fatty liver disease (NAFLD), where the risk of clinical liver outcomes is generally low. The lack of consensus on which International Classification of Disease (ICD) codes should be used as exposures and outcomes limits comparability and generalizability of results across studies. We aimed to establish consensus among a panel of experts on ICD codes that could become the reference standard and provide guidance around common methodological issues.APPROACH AND RESULTS: Researchers with an interest in EHR-based NAFLD research were invited to collect…

0301 basic medicinemedicine.medical_specialtyFIBROSIS STAGEBiomedical ResearchConsensusClinical SciencesImmunologyDiseaseMedical Biochemistry and MetabolomicsDIAGNOSISVALIDATIONArticle03 medical and health sciences0302 clinical medicineClinical ResearchNon-alcoholic Fatty Liver DiseaseEpidemiologyHealth caremedicineElectronic Health RecordsHumansGeneralizability theoryALGORITHMFATTY LIVER-DISEASEStatement (computer science)Gastroenterology & HepatologyHepatologybusiness.industryMORTALITYComparabilityClinical CodingReference Standards3. Good healthGood Health and Well Being030104 developmental biology3121 General medicine internal medicine and other clinical medicineFamily medicineInclusion and exclusion criteria030211 gastroenterology & hepatologyPatient SafetybusinessPsychologyREAL-WORLDCoding (social sciences)Hepatology
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Body Mass Index in Patients Treated with Cabozantinib for Advanced Renal Cell Carcinoma: A New Prognostic Factor?

2021

We analyzed the clinical and pathological features of renal cell carcinoma (RCC) patients treated with cabozantinib stratified by body mass index (BMI). We retrospectively collected data from 16 worldwide centers involved in the treatment of RCC. Overall survival (OS) and progression-free survival (PFS) were analyzed using Kaplan&ndash

0301 basic medicinemedicine.medical_specialtyPrognostic factorobesityrenal cell carcinomaMultivariate analysisCabozantinibPrognosiClinical Biochemistrybody mass indexurologic and male genital diseasesGastroenterologyArticle03 medical and health scienceschemistry.chemical_compound0302 clinical medicineRenal cell carcinomacabozantinibInternal medicinemedicineOverall survivalIn patientneoplasmsPathologicallcsh:R5-920real-world databusiness.industrybody mass index; cabozantinib; obesity; prognosis; real-world data; renal cell carcinoma; targeted therapymedicine.diseasetargeted therapyfemale genital diseases and pregnancy complications030104 developmental biologychemistry030220 oncology & carcinogenesisprognosislcsh:Medicine (General)businessBody mass indexDiagnostics
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