Search results for "Computer Science"

showing 10 items of 22367 documents

FastaHerder2: Four Ways to Research Protein Function and Evolution with Clustering and Clustered Databases.

2016

The accelerated growth of protein databases offers great possibilities for the study of protein function using sequence similarity and conservation. However, the huge number of sequences deposited in these databases requires new ways of analyzing and organizing the data. It is necessary to group the many very similar sequences, creating clusters with automated derived annotations useful to understand their function, evolution, and level of experimental evidence. We developed an algorithm called FastaHerder2, which can cluster any protein database, putting together very similar protein sequences based on near-full-length similarity and/or high threshold of sequence identity. We compressed 50…

0301 basic medicineProtein structure databaseProteomicsProteomeSequence analysisComputer sciencecomputer.software_genreSensitivity and SpecificitySet (abstract data type)Evolution Molecular03 medical and health sciences0302 clinical medicineSimilarity (network science)Sequence Analysis ProteinGeneticsCluster (physics)AnimalsCluster AnalysisHumansCluster analysisDatabases ProteinMolecular BiologySequenceDatabaseFunction (mathematics)Computational Mathematics030104 developmental biologyComputational Theory and MathematicsModeling and SimulationData miningcomputer030217 neurology & neurosurgerySoftwareJournal of computational biology : a journal of computational molecular cell biology
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Automated selection of homologs to track the evolutionary history of proteins

2018

Background The selection of distant homologs of a query protein under study is a usual and useful application of protein sequence databases. Such sets of homologs are often applied to investigate the function of a protein and the degree to which experimental results can be transferred from one organism to another. In particular, a variety of databases facilitates static browsing for orthologs. However, these resources have a limited power when identifying orthologs between taxonomically distant species. In addition, in some situations, for a given query protein, it is advantageous to compare the sets of orthologs from different specific organisms: this recursive step-wise search might give …

0301 basic medicineProteomeComputer scienceComputational biologyWeb toollcsh:Computer applications to medicine. Medical informaticsBiochemistryHomology (biology)Evolution Molecular03 medical and health sciences0302 clinical medicineProtein sequencingStructural BiologyHomologous chromosomeHumansDatabases ProteinMolecular Biologylcsh:QH301-705.5OrganismProtein functionMethodology ArticleApplied MathematicsProteinsA proteinComputer Science ApplicationsHomologyEvolutionary path030104 developmental biologyComputingMethodologies_PATTERNRECOGNITIONlcsh:Biology (General)Proteomelcsh:R858-859.7DNA microarraySoftware030217 neurology & neurosurgeryBMC Bioinformatics
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Biomarkers in Anderson–Fabry Disease

2020

Fabry disease is a rare lysosomal storage disorder caused by a deficiency of α-galactosidase A, resulting in multisystemic involvement. Lyso-Gb3 (globotriaosylsphingosine), the deacylated form of Gb3, is currently measured in plasma as a biomarker of classic Fabry disease. Intensive research of biomarkers has been conducted over the years, in order to detect novel markers that may potentially be used in clinical practice as a screening tool, in the context of the diagnostic process and as an indicator of response to treatment. An interesting field of application of such biomarkers is the management of female heterozygotes who present difficulty in predictable clinical progression. This revi…

0301 basic medicineProteomeContext (language use)ReviewDisease030204 cardiovascular system & hematologylyso-Gb3BioinformaticsCatalysislcsh:ChemistryInorganic Chemistry03 medical and health sciences0302 clinical medicinemedicineAnimalsHumansPhysical and Theoretical Chemistryfabrylcsh:QH301-705.5Molecular BiologySpectroscopybusiness.industryMolecular pathologyOrganic ChemistryClinical coursebiomarkersBiomarkerGeneral Medicinemedicine.diseaseResponse to treatmentFabry diseaseComputer Science ApplicationsMicroRNAsAnderson-Fabry Disease030104 developmental biologylcsh:Biology (General)lcsh:QD1-999MetabolomeFabry DiseaseBiomarker (medicine)businessInternational Journal of Molecular Sciences
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Quantitative Proteomics Reveals Changes Induced by TIMP-3 on Cell Membrane Composition and Novel Metalloprotease Substrates

2021

Ectodomain shedding is a key mechanism of several biological processes, including cell-communication. Disintegrin and metalloproteinases (ADAMs), together with the membrane-type matrix metalloproteinases, play a pivotal role in shedding transmembrane proteins. Aberrant shedding is associated to several pathological conditions, including arthritis. Tissue inhibitor of metalloproteases 3 (TIMP-3), an endogenous inhibitor of ADAMs and matrix metalloproteases (MMPs), has been proven to be beneficial in such diseases. Thus, strategies to increase TIMP-3 bioavailability in the tissue have been sought for development of therapeutics. Nevertheless, high levels of TIMP-3 may lead to mechanism-based …

0301 basic medicineProteomicsADAM15ProteomeCellMatrix metalloproteinaseMass SpectrometryCell membranelcsh:Chemistryanalysis [Proteome]lcsh:QH301-705.5proteomicSpectroscopybiologyChemistrytissue inhibitor of metalloproteases 3 (TIMP-3)General MedicineTransmembrane proteinComputer Science ApplicationsCell biologymedicine.anatomical_structureEctodomainddc:540TIMP3 protein humanmetalloproteinaseectodomain sheddingmetabolism [Tissue Inhibitor of Metalloproteinase-3]Quantitative proteomicsADAM15 protein humanchemistry [Cell Membrane]Catalysismetabolism [Cell Membrane]ArticlemetalloproteinasesInorganic Chemistry03 medical and health sciencestissue inhibitor of metalloproteases 3 (TIMP-3).medicineDisintegrinHumansPhysical and Theoretical ChemistryMolecular BiologyTissue Inhibitor of Metalloproteinase-3030102 biochemistry & molecular biologyOrganic ChemistryCell MembraneMembrane Proteinsmetabolism [Proteome]ADAM Proteins030104 developmental biologyHEK293 Cellslcsh:Biology (General)lcsh:QD1-999metabolism [ADAM Proteins]biology.proteinmetabolism [Membrane Proteins]International Journal of Molecular Sciences
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Multi-omics approaches to improve malaria therapy.

2021

Malaria contributes to the most widespread infectious diseases worldwide. Even though current drugs are commercially available, the ever-increasing drug resistance problem by malaria parasites poses new challenges in malaria therapy. Hence, searching for efficient therapeutic strategies is of high priority in malaria control. In recent years, multi-omics technologies have been extensively applied to provide a more holistic view of functional principles and dynamics of biological mechanisms. We briefly review multi-omics technologies and focus on recent malaria progress conducted with the help of various omics methods. Then, we present up-to-date advances for multi-omics approaches in malari…

0301 basic medicineProteomicsPlasmodiumComputer scienceDrug ResistanceDisease03 medical and health sciencesAntimalarials0302 clinical medicineTreatment targetsBasic researchparasitic diseasesmedicineAnimalsHumansMetabolomicsPharmacologyGenomicsmedicine.diseaseMalaria030104 developmental biologyRisk analysis (engineering)Drug development030220 oncology & carcinogenesisMulti omicsMalaria controlMalariaPharmacological research
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The Small Heat Shock Protein α-Crystallin B Shows Neuroprotective Properties in a Glaucoma Animal Model

2017

Glaucoma is a neurodegenerative disease that leads to irreversible retinal ganglion cell (RGC) loss and is one of the main causes of blindness worldwide. The pathogenesis of glaucoma remains unclear, and novel approaches for neuroprotective treatments are urgently needed. Previous studies have revealed significant down-regulation of α-crystallin B as an initial reaction to elevated intraocular pressure (IOP), followed by a clear but delayed up-regulation, suggesting that this small heat-shock protein plays a pathophysiological role in the disease. This study analyzed the neuroprotective effect of α-crystallin B in an experimental animal model of glaucoma. Significant IOP elevation induced b…

0301 basic medicineProteomicsRetinal Ganglion Cellsgenetic structuresNerve fiber layerGlaucomaCell CountMass Spectrometrylcsh:ChemistryPathogenesischemistry.chemical_compound0302 clinical medicineexperimental glaucoma; α-crystallin B; neuroprotection; proteomicsProtein Interaction Mapslcsh:QH301-705.5Spectroscopyα-crystallin BGeneral MedicineComputer Science ApplicationsUp-Regulationmedicine.anatomical_structureNeuroprotective AgentsRetinal ganglion cellneuroprotectionRetinal Neuronsmedicine.medical_specialtyDown-RegulationBiologyNeuroprotectionCatalysisArticleInorganic Chemistry03 medical and health sciencesCrystallinOphthalmologyHeat shock proteinmedicineElectroretinographyAnimalsPhysical and Theoretical ChemistryMolecular BiologyIntraocular Pressureexperimental glaucomaOrganic Chemistryalpha-Crystallin B ChainRetinalGlaucomamedicine.diseaseeye diseasesDisease Models Animal030104 developmental biologylcsh:Biology (General)lcsh:QD1-999chemistry030221 ophthalmology & optometrysense organsInternational Journal of Molecular Sciences; Volume 18; Issue 11; Pages: 2418
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MycoKey Round Table Discussions of Future Directions in Research on Chemical Detection Methods, Genetics and Biodiversity of Mycotoxins

2018

MycoKey, an EU-funded Horizon 2020 project, includes a series of “Roundtable Discussions” to gather information on trending research areas in the field of mycotoxicology. This paper includes summaries of the Roundtable Discussions on Chemical Detection and Monitoring of mycotoxins and on the role of genetics and biodiversity in mycotoxin production. Discussions were managed by using the nominal group discussion technique, which generates numerous ideas and provides a ranking for those identified as the most important. Four questions were posed for each research area, as well as two questions that were common to both discussions. Test kits, usually antibody based, were one major focus of the…

0301 basic medicineProteomicsSettore CHIM/01 - CHIMICA ANALITICAComputer scienceHealth Toxicology and MutagenesisBiodiversitylcsh:Medicinebiological controlmicrobiomeToxicology//purl.org/becyt/ford/1 [https]transcriptomicscommunication with non-scientistsA better understanding of metabolomics from the cellular to the ecosystem level is needed to inform and control mycotoxin production control and remediation. Antibody-based diagnostics have become an acceptable standard in many practical applications but sophisticated multi-mycotoxin detection protocols are the future for many official regulatory controls especially as the number of toxins that are regulated increases and need more standardization and cross-laboratory validation.antibodies2. Zero hungerGeneticsbiologyNominal groupBiodiversitymetabolomicsGeneral partnershipBiological controlAntibodiesBiological controlCommunication with non-scientists Metabolomics Microbiome Multi-mycotoxin detection protocols Nominal group discussion technique ProteomicsTranscriptomicsmulti-mycotoxin detection protocolsSettore AGR/12 - PATOLOGIA VEGETALECommunication with non-scientistsEnvironmental MonitoringNominal group discussion techniqueOpinionAntibodies03 medical and health sciencesMycotoxicologyBiointeractions and Plant HealthproteomicsFood supplyAnimalsHumansMetabolomicsnominal group discussion technique//purl.org/becyt/ford/1.6 [https]Transcriptomicsbusiness.industryResearchlcsh:RUsabilityMycotoxinsbiology.organism_classification030104 developmental biologyMulti-mycotoxin detection protocolsRound tableRankingMicrobiomeEPSbusinesscommunication with non-scientistToxins
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Label-free quantification in ion mobility-enhanced data-independent acquisition proteomics.

2016

Unbiased data-independent acquisition (DIA) strategies have gained increased popularity in the field of quantitative proteomics. The integration of ion mobility separation (IMS) into DIA workflows provides an additional dimension of separation to liquid chromatography-mass spectrometry (LC-MS), and it increases the achievable analytical depth of DIA approaches. Here we provide a detailed protocol for a label-free quantitative proteomics workflow based on ion mobility-enhanced DIA, which synchronizes precursor ion drift times with collision energies to improve precursor fragmentation efficiency. The protocol comprises a detailed description of all major steps including instrument setup, filt…

0301 basic medicineProteomicsTime FactorsProteomeComputer scienceQuantitative proteomicsProteolytic enzymesProteinsProteomicsMass spectrometryGeneral Biochemistry Genetics and Molecular BiologyChemistry Techniques AnalyticalMass Spectrometry03 medical and health sciencesLabel-free quantification030104 developmental biologyProteomeHumansData-independent acquisitionSample preparationBiological systemChromatography LiquidHeLa CellsNature protocols
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Proteomics Standards Initiative: Fifteen Years of Progress and Future Work.

2017

Abstract: The Proteomics Standards Initiative (PSI) of the Human Proteome Organization (HUPO) has now been developing and promoting open community standards and software tools in the field of proteomics for 15 years. Under the guidance of the chair, co-chairs, and other leadership positions, the PSI working groups are tasked with the development and maintenance of community standards via special workshops and ongoing work. Among the existing, ratified standards, the PSI working groups continue to update PSI-MI XML, MITAB, mzML, mzIdentML, mzQuantML, mzTab, and the MIAPE (Minimum Information About a Proteomics Experiment) guidelines with the advance of new technologies and techniques. Furthe…

0301 basic medicineProteomicsprotein quantificationEmerging technologiesComputer sciencecomputer.internet_protocolGuidelines as Topiccomputer.software_genreBiochemistry03 medical and health sciencesprotein identificationHuman proteome projectHumansCommunity standardsquality controlDatabases ProteinBiologydatabasemass spectrometryComputer. Automation030102 biochemistry & molecular biologyApplication programming interfaceProteomics Standards InitiativeGeneral ChemistryReference StandardsData sciencemetabolomicsChemistry030104 developmental biologyPerspectivedata standardWeb servicebioinformatics softwareWorking groupcomputerXMLSoftwaremolecular interactionsJournal of proteome research
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Cytotoxic activity of the histone deacetylase 3-Selective inhibitor Pojamide on MDA-MB-231 triple-negative breast cancer cells

2019

We examined the effects of the ferrocene-based histone deacetylase-3 inhibitor Pojamide (N1-(2-aminophenyl)-N8-ferrocenyloctanediamide) and its two derivatives N1-(2-aminophenyl)-N6-ferrocenyladipamide and N1-(2-aminophenyl)-N8-ferroceniumoctanediamide tetrafluoroborate on triple-negative MDA-MB-231 breast cancer cells. Viability/growth assays indicated that only the first two compounds at 70 &mu

0301 basic medicineQD0901Triple Negative Breast Neoplasmslcsh:Chemistry0302 clinical medicinebreast cancer cellmitochondrial transmembrane potentialCytotoxic T cellQDSettore BIO/06 - Anatomia Comparata E Citologialcsh:QH301-705.5SpectroscopyTriple-negative breast cancerreactive oxygen speciesCell DeathChemistryHistone deacetylase inhibitorQapoptosisGeneral MedicineCell cycle3. Good healthComputer Science Applications030220 oncology & carcinogenesisFemalecell cycleProgrammed cell deathautophagymedicine.drug_classCell SurvivalCatalysisArticleHistone DeacetylasesInorganic Chemistry03 medical and health sciencesCell Line TumormedicineBiomarkers TumorHumansViability assayPhysical and Theoretical ChemistryMolecular Biologyhistone deacetylase inhibitorcell viabilityOrganic ChemistryAutophagyapoptosiMatrix MetalloproteinasesHistone Deacetylase InhibitorsSettore BIO/18 - Genetica030104 developmental biologylcsh:Biology (General)lcsh:QD1-999ApoptosisCancer researchQD0146breast cancer cells
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