Search results for "libraries"

showing 10 items of 255 documents

Chloroplast genomes of Rubiaceae: Comparative genomics and molecular phylogeny in subfamily Ixoroideae.

2020

In Rubiaceae phylogenetics, the number of markers often proved a limitation with authors failing to provide well-supported trees at tribal and generic levels. A robust phylogeny is a prerequisite to study the evolutionary patterns of traits at different taxonomic levels. Advances in next-generation sequencing technologies have revolutionized biology by providing, at reduced cost, huge amounts of data for an increased number of species. Due to their highly conserved structure, generally recombination-free, and mostly uniparental inheritance, chloroplast DNA sequences have long been used as choice markers for plant phylogeny reconstruction. The main objectives of this study are: 1) to gain in…

0106 biological sciences0301 basic medicineChloroplastsPlant GenomesCoffeaRubiaceaePlant SciencePlant Genetics01 natural sciencesGenomePlant GenomicsPlastidsGenome EvolutionPhylogenyData ManagementMultidisciplinaryIxoroideaeQDNA ChloroplastRHigh-Throughput Nucleotide Sequencingfood and beveragesPhylogenetic AnalysisGenomicsPhylogeneticsChloroplast DNAEngineering and TechnologyMedicineGenome PlantResearch ArticleBiotechnologyGenome evolutionComputer and Information SciencesNuclear genePlant Cell BiologyScienceGenomicsBioengineeringBiology010603 evolutionary biologyPolymorphism Single NucleotideMolecular EvolutionEvolution Molecular03 medical and health sciencesChloroplast GenomeGeneticsEvolutionary SystematicsGenome ChloroplastTaxonomyComparative genomicsEvolutionary BiologyBiology and Life SciencesComputational BiologyCell BiologySequence Analysis DNAComparative Genomicsbiology.organism_classificationGenome AnalysisGenomic Libraries030104 developmental biologyEvolutionary biologyPlant BiotechnologyReference genomePLoS ONE
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Improving the conservation of Mediterranean Chondrichthyans : the ELASMOMED DNA barcode reference library

2017

Cartilaginous fish are particularly vulnerable to anthropogenic stressors and environmental change because of their K-selected reproductive strategy. Accurate data from scientific surveys and landings are essential to assess conservation status and to develop robust protection and management plans. Currently available data are often incomplete or incorrect as a result of inaccurate species identifications, due to a high level of morphological stasis, especially among closely related taxa. Moreover, several diagnostic characters clearly visible in adult specimens are less evident in juveniles. Here we present results generated by the ELASMOMED Consortium, a regional network aiming to sample …

0106 biological sciencesHeredityMolecular biologySpeciationBiodiversitySettore BIO/05 - Zoologialcsh:MedicineJuvenileEvolutionary biologyBarcodeBiochemistry01 natural sciencesDNA barcodinglaw.inventionlawDNA librarieslcsh:ScienceChondrichthyesSpecimens IdentificationData ManagementMolecular systematicsMultidisciplinaryGeographyMediterranean RegionEcologyCryptic speciationFishesBiodiversityMorphological stasiMitochondrial DNANucleic acidsGenetic MappingPhylogeographyBiogeographyDNA Barcode Reference LibraryDNA barcoding TaxonomicVertebratesDNA data banksResearch ArticleComputer and Information SciencesConservation of Natural ResourcesEvolutionary ProcessesEvolutionary systematicsBarcoding Chondrichthyans Conservation Mediterranean Sea mtDNACartilaginous fishConservationBiologyPhylogeographic structure010603 evolutionary biologyMolecular taxonomySpecies SpecificityEndemic SpeciesGeneticsMediterranean SeaAnimalsDNA Barcoding TaxonomicDNA barcoding14. Life underwaterEndemismTaxonomyPopulation Biology010604 marine biology & hydrobiologylcsh:REcology and Environmental SciencesOrganismsBiology and Life SciencesDNAResearch and analysis methodsPhylogeographyMolecular biology techniquesTaxonHaplotypesThreatened speciesEarth SciencesSharksConservation statuslcsh:QPopulation GeneticsMarine biodiversity conservationElasmobranchii
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Diversification of spatiotemporal expression and copy number variation of the echinoid hbox12/pmar1/micro1 multigene family

2017

Changes occurring during evolution in the cis-regulatory landscapes of individual members of multigene families might impart diversification in their spatiotemporal expression and function. The archetypal member of the echinoid hbox12/pmar1/micro1 family is hbox12-a, a homeobox-containing gene expressed exclusively by dorsal blastomeres, where it governs the dorsal/ventral gene regulatory network during embryogenesis of the sea urchin Paracentrotus lividus. Here we describe the inventory of the hbox12/pmar1/micro1 genes in P. lividus, highlighting that gene copy number variation occurs across individual sea urchins of the same species. We show that the various hbox12/pmar1/micro1 genes grou…

0301 basic medicineEvolutionary GeneticsEmbryologyGene regulatory networklcsh:MedicineGene ExpressionMedicine (all); Biochemistry Genetics and Molecular Biology (all); Agricultural and Biological Sciences (all)Database and Informatics MethodsGene duplicationGene Regulatory NetworksCopy-number variationlcsh:ScienceSea urchinPhylogenyMultidisciplinarybiologyPhylogenetic treeMedicine (all)Genes HomeoboxGene Expression Regulation DevelopmentalAnimal ModelsGenomicsExperimental Organism SystemsMultigene FamilySequence AnalysisResearch ArticleEchinodermsDNA Copy Number VariationsBioinformaticsDNA transcriptionZoologySettore BIO/11 - Biologia MolecolareResearch and Analysis MethodsParacentrotus lividus03 medical and health sciencesSequence Motif Analysisbiology.animalGeneticsGene familyAnimalsGeneEvolutionary BiologyBiochemistry Genetics and Molecular Biology (all)lcsh:REmbryosOrganismsBiology and Life SciencesComputational Biologybiology.organism_classificationGenome AnalysisGenomic LibrariesInvertebrates030104 developmental biologyAgricultural and Biological Sciences (all)Evolutionary biologySea Urchinslcsh:QSequence AlignmentDevelopmental Biology
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Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes

2018

Modification of SMN2 exon 7 (E7) splicing is a validated therapeutic strategy against spinal muscular atrophy (SMA). However, a target-based approach to identify small-molecule E7 splicing modifiers has not been attempted, which could reveal novel therapies with improved mechanistic insight. Here, we chose as a target the stem-loop RNA structure TSL2, which overlaps with the 5′ splicing site of E7. A small-molecule TSL2-binding compound, homocarbonyltopsentin (PK4C9), was identified that increases E7 splicing to therapeutic levels and rescues downstream molecular alterations in SMA cells. High-resolution NMR combined with molecular modelling revealed that PK4C9 binds to pentaloop conformati…

0301 basic medicineIndolesCOMPOUND LIBRARIESDrug Evaluation PreclinicalGeneral Physics and AstronomyBiotecnologiaAnimals Genetically ModifiedExonMolecular Targeted TherapyRegulatory Elements Transcriptionallcsh:ScienceHUMAN-DISEASE GENESBIOACTIVE SMALL MOLECULESMultidisciplinaryChemistryDrug discovery[CHIM.ORGA]Chemical Sciences/Organic chemistryQImidazolesMUTATION PATTERNExonsSMA*3. Good healthCell biologySurvival of Motor Neuron 2 ProteinPhenotypeCribratgeRNA splicingNUCLEOTIDE STRUCTUREDrosophilaMESSENGER-RNACOMPUTATIONAL TOOLSMedical screeningMYOTONIC-DYSTROPHYScienceMuscular atrophyArticleGeneral Biochemistry Genetics and Molecular BiologyGenètica molecularMuscular Atrophy Spinal03 medical and health sciencesddc:570SPLICING MODIFIERSmedicineAnimalsHumansHIV-1 TARRNA MessengerAtròfia muscularMessenger RNAAlternative splicingRNAGeneral ChemistrySpinal muscular atrophymedicine.diseaseAlternative Splicing030104 developmental biologyRNAlcsh:QRNA Splice SitesHeLa CellsNature Communications
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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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Identification of estrogen receptor α ligands with virtual screening techniques.

2016

Utilization of computer-aided molecular discovery methods in virtual screening (VS) is a cost-effective approach to identify novel bioactive small molecules. Unfortunately, no universal VS strategy can guarantee high hit rates for all biological targets, but each target requires distinct, fine-tuned solutions. Here, we have studied in retrospective manner the effectiveness and usefulness of common pharmacophore hypothesis, molecular docking and negative image-based screening as potential VS tools for a widely applied drug discovery target, estrogen receptor α (ERα). The comparison of the methods helps to demonstrate the differences in their ability to identify active molecules. For example,…

0301 basic medicineModels MolecularQuantitative structure–activity relationshipMolecular ConformationQuantitative Structure-Activity RelationshipComputational biologyMolecular Dynamics Simulationta3111BioinformaticsLigands01 natural sciencesMolecular Docking SimulationSmall Molecule Libraries03 medical and health sciencesestrogen receptor alphaDrug DiscoveryMaterials ChemistryHumansComputer SimulationPhysical and Theoretical ChemistrySpectroscopy3D-QSARVirtual screeningDrug discoveryChemistryta1182Estrogen Receptor alphaSmall Molecule LibrariesReproducibility of Resultsmolecular dockingvirtual screeningComputer Graphics and Computer-Aided DesignSmall molecule0104 chemical sciencesMolecular Docking Simulation010404 medicinal & biomolecular chemistry030104 developmental biologyArea Under Curvepharmacophore modelingligand discoverynegative imagePharmacophoreEstrogen receptor alphaJournal of molecular graphicsmodelling
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In silico discovery of substituted pyrido[2,3-d]pyrimidines and pentamidine-like compounds with biological activity in myotonic dystrophy models

2016

Myotonic dystrophy type 1 (DM1) is a rare multisystemic disorder associated with an expansion of CUG repeats in mutant DMPK (dystrophia myotonica protein kinase) transcripts; the main effect of these expansions is the induction of pre-mRNA splicing defects by sequestering muscleblind-like family proteins (e.g. MBNL1). Disruption of the CUG repeats and the MBNL1 protein complex has been established as the best therapeutic approach for DM1, hence two main strategies have been proposed: targeted degradation of mutant DMPK transcripts and the development of CUG-binding molecules that prevent MBNL1 sequestration. Herein, suitable CUG-binding small molecules were selected using in silico approach…

0301 basic medicineMolecular biologyPhysiologyMutantMyotonic dystrophyDruggabilitylcsh:Medicine01 natural sciencesBiochemistryPhysical ChemistryMyoblastschemistry.chemical_compoundAnabolic AgentsMedicaments--InteraccióAnimal CellsDrug DiscoveryMedicine and Health SciencesMBNL1Drosophila ProteinsMyotonic Dystrophylcsh:ScienceRNA structureConnective Tissue CellsMultidisciplinaryMolecular StructureOrganic CompoundsStem CellsPhysicsRNA-Binding ProteinsBiological activityPhenotypeClimbingMolecular Docking SimulationNucleic acidsChemistryDrosophila melanogasterBiochemistryGenetic DiseasesConnective TissueRNA splicingPhysical SciencesCellular TypesAnatomyLocomotion57 - BiologiaSignal TransductionResearch ArticleBiotechnologyHydrogen bondingcongenital hereditary and neonatal diseases and abnormalitiesIn silicoPrimary Cell CultureComputational biologyBiology010402 general chemistryMyotonic dystrophyMyotonin-Protein KinaseDrug interactionsSmall Molecule Libraries03 medical and health sciencesStructure-Activity RelationshipmedicineAnimalsHumansRNA MessengerEnllaços d'hidrogenClinical GeneticsChemical PhysicsBiology and life sciencesChemical BondingBiological Locomotionlcsh:ROrganic ChemistryEstructura molecularChemical CompoundsHydrogen BondingCell BiologyFibroblastsmedicine.disease0104 chemical sciencesBenzamidinesAlternative SplicingDisease Models AnimalMacromolecular structure analysis030104 developmental biologyPyrimidinesBiological TissuechemistrySmall MoleculesRNAlcsh:QTrinucleotide Repeat ExpansionMolecular structure
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Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization.

2019

Because of its essential role as a bacterial virulence factor, enzyme sortase A (SrtA) has become an attractive target for the development of new antivirulence drugs against Gram-positive infections. Here we describe 27 compounds identified as covalent inhibitors of

0301 basic medicineStaphylococcus aureusMagnetic Resonance SpectroscopyAntivirulenceVirulence Factors030106 microbiologySmall Molecule Libraries03 medical and health sciencesMiceBacterial ProteinsCatalytic DomainDrug DiscoveryAnimalschemistry.chemical_classificationBinding SitesChemistryHit to leadFibroblastsAminoacyltransferasesAnti-Bacterial AgentsMolecular Docking SimulationCysteine Endopeptidases030104 developmental biologyInfectious DiseasesEnzymeBiochemistryCovalent bondSortase ABacterial virulenceNIH 3T3 CellsStructure basedACS infectious diseases
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Modulating disease-relevant tau oligomeric strains by small molecules

2020

The pathological aggregation of tau plays an important role in Alzheimer's disease and many other related neurodegenerative diseases, collectively referred to as tauopathies. Recent evidence has demonstrated that tau oligomers, small and soluble prefibrillar aggregates, are highly toxic due to their strong ability to seed tau misfolding and propagate the pathology seen across different neurodegenerative diseases. We previously showed that novel curcumin derivatives affect preformed tau oligomer aggregation pathways by promoting the formation of more aggregated and nontoxic tau aggregates. To further investigate their therapeutic potential, we have extended our studies o disease-relevant bra…

0301 basic medicinetau oligomeric strainsCurcuminTau proteinsmall moleculetau ProteinsProtein aggregationBiochemistrytau proteinoligomerProgressive supranuclear palsyprotein aggregationDiagnosis DifferentialSmall Molecule Libraries03 medical and health scienceschemistry.chemical_compoundBiopolymersmental disordersmedicineHumansMolecular BiologyCells CulturedNeurons030102 biochemistry & molecular biologybiologyChemistryDementia with Lewy bodiesbrain-derived tau oligomerstau aggregationtauopathytoxicityBrainMolecular Bases of DiseaseCell Biologymedicine.diseaseSmall moleculeImaging agentCell biology030104 developmental biologyTauopathiesbiology.proteinCurcuminTauopathyThe Journal of Biological Chemistry
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A Bimolecular Multicellular Complementation System for the Detection of Syncytium Formation: A New Methodology for the Identification of Nipah Virus …

2019

Fusion of viral and cellular membranes is a key step during the viral life cycle. Enveloped viruses trigger this process by means of specialized viral proteins expressed on their surface, the so-called viral fusion proteins. There are multiple assays to analyze the viral entry including those that focus on the cell-cell fusion induced by some viral proteins. These methods often rely on the identification of multinucleated cells (syncytium) as a result of cell membrane fusions. In this manuscript, we describe a novel methodology for the study of cell-cell fusion. Our approach, named Bimolecular Multicellular Complementation (BiMuC), provides an adjustable platform to qualitatively and quanti…

0301 basic medicinevirusesmembrane fusionlcsh:QR1-502virusNipah virusBiologyGiant Cells01 natural scienceslcsh:MicrobiologySmall Molecule Libraries03 medical and health sciencesVirus entryViral envelopeViral life cycleViral entryVirologyDrug DiscoveryHumansSyncytiumDrug discoveryBrief ReportbiomolèculesHigh-throughput screeningLipid bilayer fusionVirus InternalizationFusion proteinHigh-Throughput Screening Assays0104 chemical sciencesCell biologyBimolecular complementation010404 medicinal & biomolecular chemistryMulticellular organismHEK293 Cells030104 developmental biologyInfectious DiseasesViruses
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