Search results for "Structural Biology."

showing 10 items of 822 documents

A hybrid short read mapping accelerator

2013

Background The rapid growth of short read datasets poses a new challenge to the short read mapping problem in terms of sensitivity and execution speed. Existing methods often use a restrictive error model for computing the alignments to improve speed, whereas more flexible error models are generally too slow for large-scale applications. A number of short read mapping software tools have been proposed. However, designs based on hardware are relatively rare. Field programmable gate arrays (FPGAs) have been successfully used in a number of specific application areas, such as the DSP and communications domains due to their outstanding parallel data processing capabilities, making them a compet…

:Engineering::Computer science and engineering [DRNTU]GenomeComputer sciencebusiness.industryApplied MathematicsMethodology ArticleChromosome MappingSequence Analysis DNABiochemistryComputer Science ApplicationsSoftwareComputer engineeringStructural BiologySensitivity (control systems)DNA microarraybusinessField-programmable gate arrayAlgorithmMolecular BiologySequence AlignmentDigital signal processingAlgorithmsSoftwareReference genomeBMC Bioinformatics
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In Silico Conformational Features of Botulinum Toxins A1 and E1 According to Intraluminal Acidification

2022

International audience; Although botulinum neurotoxins (BoNTs) are among the most toxic compounds found in nature, their molecular mechanism of action is far from being elucidated. A key event is the conformational transition due to acidification of the interior of synaptic vesicles, leading to translocation of the BoNT catalytic domain into the neuronal cytosol. To investigate these conformational variations, homology modeling and atomistic simulations are combined to explore the internal dynamics of the sub-types BoNT/A1 (the most-used sub-type in medical applications) and BoNT/E1 (the most kinetically efficient sub-type). This first simulation study of di-chain BoNTs in closed and open s…

<i>Clostridium botulinum</i>; botulinum toxin; molecular dynamics; residue protonation; homology modeling[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM][SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]Health Toxicology and Mutagenesismolecular dynamichomology modelingresidue protonation[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry Molecular Biology/BiophysicsHydrogen-Ion ConcentrationToxicology[SDV.MP.BAC]Life Sciences [q-bio]/Microbiology and Parasitology/BacteriologySettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)molecular dynamics[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry Molecular Biology/BiophysicsGangliosidesSolventsClostridium botulinumbotulinum toxinBotulinum Toxins Type A[SDV.MP.BAC] Life Sciences [q-bio]/Microbiology and Parasitology/Bacteriology[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM][INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
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SARS-CoV-2 and its impact on the cardiovascular and digestive systems – The interplay between new virus variants and human cells

2023

Since infection with the novel coronavirus SARS-CoV-2 first emerged in Wuhan, China, in December 2019,the world has been battling the pandemic COVID-19. Patients of all ages and genders are now becoming infected with the new coronavirus variant (Omicron) worldwide, and its subvariants continue to pose a threat to health and life. This article provides a literature review of cardiovascular and gastrointestinal complications resulting from SARS-CoV-2 infection. COVID-19 primarily caused respiratory symptoms, but complications can affect many vital organs. SARS-CoV-2 binds to a human cell receptor (angiotensin-converting enzyme 2 – ACE2) that is predominantly expressed primarily in the heart a…

ACE2 receptor; Cardiovascular and digestive systems; Mutations; Omicron; SARS-CoV-2Structural BiologyGeneticsBiophysicsBiochemistryComputer Science ApplicationsBiotechnologyComputational and Structural Biotechnology Journal
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An improvement of ComiR algorithm for microRNA target prediction by exploiting coding region sequences of mRNAs

2020

AbstractMicroRNA are small non-coding RNAs that post-transcriptionally regulate the expression levels of messenger RNAs. MicroRNA regulation activity depends on the recognition of binding sites located on mRNA molecules. ComiR is a web tool realized to predict the targets of a set of microRNAs, starting from their expression profile. ComiR was trained with the information regarding binding sites in the 3’utr region, by using a reliable dataset containing the targets of endogenously expressed microRNA in D. melanogaster S2 cells. This dataset was obtained by comparing the results from two different experimental approaches, i.e., inhibition, and immunoprecipitation of the AGO1 protein--a comp…

AGO1ImmunoprecipitationComputer sciencelcsh:Computer applications to medicine. Medical informaticsBiochemistryOpen Reading Frames03 medical and health sciences0302 clinical medicineStructural BiologymicroRNAMelanogasterAnimalsHumansCoding regionGene silencing3'UTRRNA MessengerBinding sitelcsh:QH301-705.5Molecular Biology030304 developmental biology0303 health sciencesMessenger RNAbiologyThree prime untranslated regionResearchApplied MathematicsmicroRNA target predictionbiology.organism_classificationComputer Science Applications3’UTRMicroRNAsDrosophila melanogasterlcsh:Biology (General)Coding regionlcsh:R858-859.7DNA microarrayDrosophila melanogasterAlgorithmAlgorithms030217 neurology & neurosurgeryBMC Bioinformatics
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Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics

2021

Graphical abstract

ATP Adenosine-triphosphateNBD nucleotide binding domainGSH reduced glutathionePolypharmacologyAlzheimer’s disease (AD)ATP-binding cassette transporterHTS high-throughput screeningBiochemistryABCA7Structural BiologyPLIF protein ligand interactionMSD membrane spanning domainPDB protein data bankTM transmembrane helixABC ATP-binding cassetteMultitarget modulation (PANABC)RMSD root mean square distanceABC transporter (ABCA1 ABCA4 ABCA7)Computer Science ApplicationsMOE Molecular Operating EnvironmentPharmacophoreSNP single-nucleotide polymorphismBiotechnologyResearch ArticleBBB blood-brain barrierBiophysicsDrug designComputational biologyBiologyAD Alzheimer’s diseasePET positron emission tomographyIC intracellular helixAPP amyloid precursor proteincryo-EM cryogenic-electron microscopyGeneticsHomology modelingBinding siteRational drug design and developmentComputingMethodologies_COMPUTERGRAPHICSNBD-cholesterol 7-nitro-2-13-benzoxadiazol-4-yl-cholesterolTransporterPSO particle swarm optimizationPET tracer (PETABC)ECD extracellular domainR-domain/region regulatory domain/regionABCA1biology.proteinEH extracellular helixTP248.13-248.65BODIPY-cholesterol 44-difluoro-4-bora-3a4a-diaza-s-indacene-cholesterolComputational and Structural Biotechnology Journal
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The N-terminal domain of the light-harvesting chlorophyll a/b-binding protein complex (LHCII) is essential for its acclimative proteolysis.

2000

AbstractVariations in the amount of the light-harvesting chlorophyll a/b-binding protein complex (LHCII) is essential for regulation of the uptake of light into photosystem II. An endogenous proteolytic system was found to be involved in the degradation of LHCII in response to elevated light intensities and the proteolysis was shown to be under tight regulation [Yang, D.-H. et al. (1998) Plant Physiol. 118, 827–834]. In this study, the substrate specificity and recognition site towards the protease were examined using reconstituted wild-type and mutant recombinant LHCII. The results show that the LHCII apoprotein and the monomeric form of the holoprotein are targeted for proteolysis while t…

Acclimative proteaseChlorophyll aN-terminal domainPhotosystem IImedicine.medical_treatmentProteolysisMutantMolecular Sequence DataPhotosynthetic Reaction Center Complex ProteinsBiophysicsLight-Harvesting Protein ComplexesRecognition siteEndogenyLight-harvesting complex IIBiochemistrylaw.inventionchemistry.chemical_compoundStructural BiologylawSpinacia oleraceaGeneticsmedicineAmino Acid SequenceMolecular BiologyProteasemedicine.diagnostic_testSequence Homology Amino AcidChemistryBinding proteinHydrolysisPhotosystem II Protein ComplexCell BiologyBiochemistryRecombinant light-harvesting complex IIProteolysisRecombinant DNAFEBS letters
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Diverse stress signals activate the C1 subgroup MAP kinases ofArabidopsis

2007

AbstractMitogen-activated protein kinase (MAPK) cascades play an important role in mediating stress responses in plants. In Arabidopsis, 20 MAPKs have been identified and classified into four major groups (A–D). Little is known about the role of group C MAPKs. We have studied the activation of Arabidopsis subgroup C1 MAPKs (AtMPK1/AtMPK2) in response to mechanical injury. An increase in their kinase activity was detected in response to wounding that was blocked by cycloheximide. Jasmonic acid (JA) activated AtMPK1/AtMPK2 in the absence of wounding. Wound and JA-induction of AtMPK1/2 kinase activity was not prevented in the JA-insensitive coi1 mutant. Other stress signals, such as abscisic a…

AcclimatizationArabidopsisBiophysicsBiochemistryGene Expression Regulation Enzymologicchemistry.chemical_compoundGene Expression Regulation PlantStructural BiologyArabidopsisGeneticsASK1Kinase activityProtein kinase AMolecular BiologyJasmonic acidMAP kinase kinase kinasebiologyArabidopsis ProteinsKinaseJasmonic acidWoundHydrogen PeroxideCell Biologybiology.organism_classificationBiochemistrychemistryMitogen-activated protein kinasebiology.proteinMAP kinaseStress MechanicalMitogen-Activated Protein KinasesAbscisic AcidSignal TransductionFEBS Letters
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Different pathways for the nuclear import of yeast RNA polymerase II

2015

Recent studies suggest that RNA polymerase II (Pol II) has to be fully assembled before being imported into the nucleus, while other reports indicate a distinct mechanism to import large and small subunits. In yeast, Iwr1 binds to the holoenzyme assembled in the cytoplasm and directs its nuclear entry. However, as IWR1 is not an essential gene, Iwr1-independent pathway(s) for the nuclear import of Pol II must exist. In this paper, we investigate the transport into the nucleus of several large and small Pol II subunits in the mutants of genes involved in Pol II biogenesis. We also analyse subcellular localization in the presence of drugs that can potentially affect Pol II nuclear import. Our…

Active Transport Cell NucleusBiophysicsRNA polymerase IISaccharomyces cerevisiaeBiochemistrychemistry.chemical_compoundStructural BiologyRNA polymeraseGeneticsmedicineMolecular BiologyCell NucleusbiologyProcessivitySubcellular localizationMolecular biologyCell biologyCell nucleusmedicine.anatomical_structurechemistrybiology.proteinRNA Polymerase IITranscription factor II DNuclear transportCarrier ProteinsBiogenesisBiochimica et Biophysica Acta (BBA) - Gene Regulatory Mechanisms
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Binding of a fluorescent dansylcadaverine-substance P analogue to negatively charged phospholipid membranes.

2000

Abstract We have investigated the binding of a new dansylcadaverine derivative of substance P (DNC-SP) with negatively charged small unilamellar vesicles composed of a mixture of phosphatidylcholine (PC) and either phosphatidylglycerol (PG) or phosphatidylserine (PS) using fluorescence spectroscopic techniques. The changes in fluorescence properties were used to obtain association isotherms at variable membrane negative charges and at different ionic strengths. The experimental association isotherms were analyzed using two binding approaches: (i) the Langmuir adsorption isotherm and the partition equilibrium model, that neglect the activity coefficients; and (ii) the partition equilibrium m…

Activity coefficientVesicleLipid BilayersAnalytical chemistryLangmuir adsorption modelCharge densityGeneral MedicineSubstance PBiochemistryBinding constantFluorescencechemistry.chemical_compoundsymbols.namesakeMembranechemistryModels ChemicalStructural BiologyPhosphatidylcholinePartition equilibriumCadaverinesymbolsMolecular BiologyPhospholipidsFluorescent DyesProtein BindingInternational journal of biological macromolecules
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Ultrastructural patterns of primary ciliar dyskinesia syndrome.

2005

Clinical presentation, ciliary ultrastructure, and nasal mucociliary transport by a radioisotopic technique were analyzed in 14 Kartagener syndrome patients. In this study the most common pattern was the absence of outer and inner dynein arms in 57% of cases. Also reported are 14% patients with short inner dynein arms. A total of 29% of the patients showed normal dynein arms. Mucociliary stasis was observed in 13 cases. Primary ciliary dyskinesia syndrome and Kartagener syndrome are clinically homogeneous and morphologically heterogeneous. The authors conclude that a typical clinical presentation with an altered mucociliary transport obtained by radioisotopic technique is diagnostic althoug…

AdultMalePathologymedicine.medical_specialtyAdolescentMucociliary clearanceBiologyPathology and Forensic MedicineDiagnosis DifferentialMicroscopy Electron TransmissionStructural BiologymedicineHumansCiliaChildPrimary ciliary dyskinesiaKartagener SyndromeKartagener SyndromeDyneinsInfantAnatomyMiddle Agedmedicine.diseaseSitus inversusNasal MucosaDyskinesiaHomogeneousMucociliary ClearanceUltrastructureFemalemedicine.symptomCiliary ultrastructureUltrastructural pathology
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