Search results for "Bases"

showing 10 items of 1240 documents

Detection of Missing Proteins Using the PRIDE Database as a Source of Mass Spectrometry Evidence

2016

The current catalogue of the human proteome is not yet complete, as experimental proteomics evidence is still elusive for a group of proteins known as the missing proteins. The Human Proteome Project (HPP) has been successfully using technology and bioinformatic resources to improve the characterization of such challenging proteins. In this manuscript, we propose a pipeline starting with the mining of the PRIDE database to select a group of data sets potentially enriched in missing proteins that are subsequently analyzed for protein identification with a method based on the statistical analysis of proteotypic peptides. Spermatozoa and the HEK293 cell line were found to be a promising source…

0301 basic medicineMaleProteomicsFrontal cortexFuture studiesProteomePlacentaBiologyMass spectrometrycomputer.software_genreTandem mass spectrometryProteomicsBiochemistryArticleRetina03 medical and health sciencesPregnancyTandem Mass SpectrometryMS/MS proteomicsHuman proteome projectHumansDatabases ProteinAortaPRIDE databaseDatabaseC-HPPComputational BiologyGeneral ChemistrySpermatozoaFrontal Lobe030104 developmental biologyHEK293 CellsProteomeProtein identificationFemalemissing proteinscomputerJournal of Proteome Research
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Characterization of the porcine seminal plasma proteome comparing ejaculate portions.

2016

Full identification of boar seminal plasma (SP) proteins remains challenging. This study aims to provide an extensive proteomic analysis of boar SP and to generate an accessible database of boar SP-proteome. A SP-pool (33 entire ejaculates/11 boars; 3 ejaculates/boar) was analyzed to characterize the boar SP-proteome. Twenty ejaculates (5 boars, 4 ejaculates/boar) collected in portions (P1: first 10 mL of sperm rich ejaculate fraction (SRF), P2: rest of SRF and P3: post-SRF) were analyzed to evaluate differentially expressed SP-proteins among portions. SP-samples were analyzed using a combination of SEC, 1-D SDS PAGE and NanoLC-ESI-MS/MS followed by functional bioinformatics. The identified…

0301 basic medicineMaleProteomicsendocrine systemBOARProteomeSwineQuantitative proteomicsBiophysicsComputational biologyBioinformatik och systembiologiBiologyBioinformaticsBiochemistry03 medical and health sciencesTandem Mass SpectrometryAnimalsPorcine; Ejaculate; Seminal plasma; ProteomeEjaculationSperm qualityDatabases ProteinLabel freeBioinformatics and Systems Biologyurogenital systemProteomic ProfilingReproductionSeminal Plasma ProteinsComputational BiologySpermSemen Analysis030104 developmental biologyFertilityGene Expression RegulationBiological significanceProteomeElectrophoresis Polyacrylamide GelChromatography LiquidJournal of proteomics
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Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach

2016

In a previous work, we developed the in house Virtual Lock-and-Key Approach (VLKA) in order to evaluate target assignment starting from molecular descriptors calculated on known inhibitors used as an information source. This protocol was able to predict the correct biological target for the whole dataset with a good degree of reliability (80%), and proved experimentally, which was useful for the target fishing of unknown compounds. In this paper, we tried to remodel the previous in house developed VLKA in a more sophisticated one in order to evaluate the influence of 3D conformation of ligands on the accuracy of the prediction. We applied the same previous algorithm of scoring and ranking b…

0301 basic medicineMaterials Chemistry2506 Metals and AlloysInhibitorStructure-basedComputer scienceProtein ConformationProtein Data Bank (RCSB PDB)Molecular ConformationTarget fishingMolecular Dynamics Simulationcomputer.software_genreLigands01 natural sciencesDockingVlka03 medical and health sciencesMolecular descriptorMaterials ChemistryHumansPhysical and Theoretical ChemistryCluster analysisDatabases ProteinSimulationSpectroscopyBinding SitesProteinscomputer.file_formatDescriptorProtein Data BankComputer Graphics and Computer-Aided Design0104 chemical sciencesMolecular Docking Simulation010404 medicinal & biomolecular chemistry030104 developmental biologyProtein–ligand dockingBiological targetDocking (molecular)Biological targetStructure basedLigand-basedData miningcomputerAlgorithmsSoftwareProtein Binding
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Towards development of a statistical framework to evaluate myotonic dystrophy type 1 mRNA biomarkers in the context of a clinical trial

2020

AbstractMyotonic dystrophy type 1 (DM1) is a rare genetic disorder, characterised by muscular dystrophy, myotonia, and other symptoms. DM1 is caused by the expansion of a CTG repeat in the 3’-untranslated region of DMPK. Longer CTG expansions are associated with greater symptom severity and earlier age at onset. The primary mechanism of pathogenesis is thought to be mediated by a gain of function of the CUG-containing RNA, that leads to trans-dysregulation of RNA metabolism of many other genes. Specifically, the alternative splicing (AS) and alternative polyadenylation (APA) of many genes is known to be disrupted. In the context of clinical trials of emerging DM1 treatments, it is important…

0301 basic medicineMicroarrayPhysiologyMicroarraysBioinformaticsBiochemistryMachine Learning0302 clinical medicineMathematical and Statistical TechniquesMedicine and Health SciencesMyotonic DystrophyMuscular dystrophyOligonucleotide Array Sequence AnalysisClinical Trials as TopicMultidisciplinaryMusclesQStatisticsRGenetic disorderMuscle AnalysisBody FluidsNucleic acidsBloodBioassays and Physiological AnalysisTreatment OutcomeGenetic DiseasesPhysical SciencesMedicineRegression AnalysisAnatomyDatabases Nucleic AcidResearch Articlemusculoskeletal diseasesGenetic Markerscongenital hereditary and neonatal diseases and abnormalitiesScienceContext (language use)Linear Regression AnalysisBiostatisticsResearch and Analysis MethodsPolyadenylationMyotonic dystrophyMyotonin-Protein Kinase03 medical and health sciencesmedicineGeneticsHumansRNA MessengerStatistical MethodsLeast-Squares AnalysisGeneClinical GeneticsModels Geneticbusiness.industryAlternative splicingBiology and Life Sciencesmedicine.diseaseMyotoniaAlternative Splicing030104 developmental biologyRNA processingRNAGene expressionbusinessTrinucleotide repeat expansionTrinucleotide Repeat Expansion030217 neurology & neurosurgeryBiomarkersMathematicsForecastingPLoS ONE
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Genome-scale analysis of evolutionary rate and selection in a fast-expanding Spanish cluster of HIV-1 subtype F1.

2018

Abstract This work is aimed at assessing the presence of positive selection and/or shifts of the evolutionary rate in a fast-expanding HIV-1 subtype F1 transmission cluster affecting men who have sex with men in Spain. We applied Bayesian coalescent phylogenetics and selection analyses to 23 full-coding region sequences from patients belonging to that cluster, along with other 19 F1 epidemiologically-unrelated sequences. A shift in the overall evolutionary rate of the virus, explained by positively selected sites in the cluster, was detected. We also found one substitution in Nef (H89F) that was specific to the cluster and experienced positive selection. These results suggest that fast tran…

0301 basic medicineMicrobiology (medical)GenotypeBayesian probabilityGenome scaleEpitopes T-LymphocyteHIV InfectionsGenome ViralBiologyDisease clusterMicrobiologyArticlelaw.inventionMen who have sex with menCoalescent theoryEvolution MolecularSubtype F103 medical and health sciencesSex FactorslawPhylogeneticsDatabases GeneticGeneticsHumansSelection GeneticSelectionMolecular BiologyAntigens ViralEcology Evolution Behavior and SystematicsSelection (genetic algorithm)PhylogenyRecombination GeneticGenomicsMen who have sex with men030104 developmental biologyInfectious DiseasesTransmission (mechanics)Evolutionary biologySpainHIV-1Transmission clusterInfection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases
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Development of a database for the rapid and accurate routine identification of Achromobacter species by matrix-assisted laser desorption/ionization-t…

2019

International audience; Objectives: Achromobacter spp. are emerging pathogens in respiratory samples from cystic fibrosis patients. The current reference methods (nrdA-sequencing or multilocus sequence typing) can identify 18 species which are often misidentified by conventional techniques as A. xylosoxidans. A few studies have suggested that matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry (MALDI-TOF/MS) provides accurate identification of the genus but not of species. The aims of this study were (a) to generate a database for MALDI-TOF/MS Bruker including the 18 species, (b) to evaluate the suitability of the database for routine laboratory identification, and …

0301 basic medicineMicrobiology (medical)MALDI-TOFAchromobacter speciesAchromobacterDatabases FactualRibonucleoside Diphosphate Reductase030106 microbiologyspecies identificationMatrix assisted laser desorption ionization time of flightAchromobacterBiologyMass spectrometrycomputer.software_genre03 medical and health sciences0302 clinical medicineHumans030212 general & internal medicineRespiratory samplesmass spectrometryDatabaseDiagnostic Tests RoutineGeneral Medicinebiology.organism_classification[SDV.MP.BAC]Life Sciences [q-bio]/Microbiology and Parasitology/BacteriologynrdAIdentification (information)Matrix-assisted laser desorption/ionizationInfectious DiseasesSpectrometry Mass Matrix-Assisted Laser Desorption-IonizationMultilocus sequence typing[SDV.MP.BAC] Life Sciences [q-bio]/Microbiology and Parasitology/BacteriologyGram-Negative Bacterial InfectionscomputerSoftwareClinical microbiology and infection : the official publication of the European Society of Clinical Microbiology and Infectious Diseases
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An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors

2020

Botulinum toxins are neurotoxins produced by Clostridium botulinum. This toxin can be lethal for humans as a cause of botulism

0301 basic medicineModels MolecularBotulinum ToxinsDatabases FactualNeuromuscular transmissionQuantitative Structure-Activity RelationshipPharmacologymedicine.disease_cause01 natural sciencesType Alcsh:ChemistryModelsClostridium botulinumbotulinum neurotoxin ABotulismBotulinum Toxins Type Alcsh:QH301-705.5Spectroscopyfood and beveragesGeneral MedicineBotulinum neurotoxinComputer Science ApplicationsdockingPharmacophoreQuantitative structure–activity relationshipStatic ElectricityChemicalbotulinum neurotoxin A virtual screening docking 3D-QSAR molecular dynamicsMolecular Dynamics SimulationArticleCatalysisInorganic ChemistrySmall Molecule Libraries03 medical and health sciencesDatabasesmedicinePhysical and Theoretical ChemistryMolecular BiologyFactual3D-QSARVirtual screening010405 organic chemistrybusiness.industryfungiOrganic ChemistryMolecularHydrogen Bondingmedicine.diseasevirtual screeningmolecular dynamics0104 chemical sciences030104 developmental biologyModels Chemicallcsh:Biology (General)lcsh:QD1-999Docking (molecular)Clostridium botulinumbusinessInternational Journal of Molecular Sciences
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Human molecular chaperones share with SARS-CoV-2 antigenic epitopes potentially capable of eliciting autoimmunity against endothelial cells: possible…

2020

Severe acute respiratory syndrome corona virus 2 (SARS-CoV-2), the cause of COVID-19 disease, has the potential to elicit autoimmunity because mimicry of human molecular chaperones by viral proteins. We compared viral proteins with human molecular chaperones, many of which are heat shock proteins, to determine if they share amino acid-sequence segments with immunogenic-antigenic potential, which can elicit cross-reactive antibodies and effector immune cells with the capacity to damage-destroy human cells by a mechanism of autoimmunity. We identified the chaperones that can putatively participate in molecular mimicry phenomena after SARS-CoV-2 infection, focusing on those for which endotheli…

0301 basic medicineMolecular chaperonesShort CommunicationPneumonia ViralAutoimmunityBiologymedicine.disease_causeAutoantigensBiochemistryEpitopeAutoimmunity03 medical and health sciencesBetacoronavirusViral Proteins0302 clinical medicineImmune systemEndothelialitisAntigenHeat shock proteinmedicineHumansSevere acute respiratory syndrome coronavirus 2Amino Acid SequenceDatabases ProteinPandemicsHeat-Shock ProteinsEffectorImmunodominant EpitopesSARS-CoV-2Settore BIO/16 - Anatomia UmanaEndothelial CellsCOVID-19Cell BiologyCell biologyEndothelial stem cellMolecular mimicry030104 developmental biologyCoronavirus Infections030217 neurology & neurosurgeryMolecular mimicryCell Stress and Chaperones
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Harmonising and linking biomedical and clinical data across disparate data archives to enable integrative cross-biobank research

2015

A wealth of biospecimen samples are stored in modern globally distributed biobanks. Biomedical researchers worldwide need to be able to combine the available resources to improve the power of large-scale studies. A prerequisite for this effort is to be able to search and access phenotypic, clinical and other information about samples that are currently stored at biobanks in an integrated manner. However, privacy issues together with heterogeneous information systems and the lack of agreed-upon vocabularies have made specimen searching across multiple biobanks extremely challenging. We describe three case studies where we have linked samples and sample descriptions in order to facilitate glo…

0301 basic medicineNetherlands Twin Register (NTR)Databases FactualComputer scienceInformation Storage and RetrievalSample (statistics)Ontology (information science)Endocrinology and DiabetesBioinformaticscomputer.software_genredata archivesArticle03 medical and health sciencesSDG 17 - Partnerships for the GoalsSDG 3 - Good Health and Well-beingGenetics/dk/atira/pure/keywords/cohort_studies/netherlands_twin_register_ntr_Use casebiomedical dataGenetics (clinical)Biological Specimen BanksGenetics & Heredity0604 GeneticsBioinformatics (Computational Biology)ta112ta1184/dk/atira/pure/sustainabledevelopmentgoals/partnershipsData scienceBiobank3. Good healthcross-biotank research030104 developmental biologyProject planningExchange of informationDisparate systemPrivacyBioinformatik (beräkningsbiologi)/dk/atira/pure/sustainabledevelopmentgoals/good_health_and_well_beingclinical datacomputerData integrationEuropean Journal of Human Genetics
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A meta-analysis of the validity of FFQ targeted to adolescents.

2015

AbstractObjectiveThe present work is aimed at meta-analysing validity studies of FFQ for adolescents, to investigate their overall accuracy and variables that can affect it negatively.DesignA meta-analysis of sixteen original articles was performed within the ASSO Project (Adolescents and Surveillance System in the Obesity prevention).SettingThe articles assessed the validity of FFQ for adolescents, compared with food records or 24 h recalls, with regard to energy and nutrient intakes.SubjectsPearson’s or Spearman’s correlation coefficients, means/standard deviations, kappa agreement, percentiles and mean differences/limits of agreement (Bland–Altman method) were extracted. Pooled estimates…

0301 basic medicinePercentileAdolescentDatabases FactualMedicine (miscellaneous)Subgroup analysisFFQDiet SurveysStandard deviationValidityCorrelation03 medical and health sciencesStatisticsNutrition and DieteticHumansMeta-analysiObesityMathematicsObesity prevention030109 nutrition & dieteticsNutrition and DieteticsLimits of agreementPublic Health Environmental and Occupational HealthReproducibility of ResultsResearch PapersMeta-analysisMental RecallEnergy IntakeKappaPublic health nutrition
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