Search results for "molecule"

showing 10 items of 5162 documents

PDE4 inhibitors as new anti-inflammatory drugs: effects on cell trafficking and cell adhesion molecules expression.

2004

Phosphodiesterase 4 (PDE4) is a major cyclic AMP-hydrolyzing enzyme in inflammatory and immunomodulatory cells. The wide range of inflammatory mechanisms under control by PDE4 points to this isoenzyme as an attractive target for new anti-inflammatory drugs. Selective inhibitors of PDE4 have demonstrated a broad spectrum of anti-inflammatory activities including the inhibition of cellular trafficking and microvascular leakage, cytokine and chemokine release from inflammatory cells, reactive oxygen species production, and cell adhesion molecule expression in a variety of in vitro and in vivo experimental models. The initially detected side effects, mainly nausea and emesis, appear at least pa…

CyclopropanesChemokineCyclohexanecarboxylic Acidsmedicine.drug_classPhosphodiesterase Inhibitorsmedicine.medical_treatmentAnti-Inflammatory AgentsCarboxylic AcidsAminopyridinesInflammationPharmacologyAnti-inflammatoryPulmonary Disease Chronic ObstructiveIn vivoCell MovementNitrilesmedicineHumansPharmacology (medical)RoflumilastPharmacologybiologyCell adhesion moleculeChemistryCilomilastCyclic Nucleotide Phosphodiesterases Type 4Cytokine3'5'-Cyclic-AMP PhosphodiesterasesImmunologyBenzamidesbiology.proteinmedicine.symptomCell Adhesion Moleculesmedicine.drugPharmacologytherapeutics
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“Cysteinyl leukotriene-1 receptor activation in a human bronchial epithelial cell line leads to signal transducer and activator of transcription 1-me…

2008

Abstract We studied the effect of leukotriene D(4) (LTD(4)) on a human bronchial epithelial cell line (16HBE) overexpressing the cysteinyl leukotriene (CysLT) (1) receptor (HBECysLT(1)R), looking at the associated signal transduction mechanisms as well as at effects on inflammatory cell adhesion. The results obtained showed that LTD(4) increases the phosphorylation of extracellular signal-regulated protein kinase (ERK) 1/2 and of the signal transducer and activator of transcription 1 (STAT-1) in serine 727 (STAT-1Ser727), resulting in increased eosinophil adhesion to HBECysLT(1)R, associated with enhanced surface expression of intercellular adhesion molecule (ICAM) 1. Pretreatment with a Cy…

CyclopropanesMAPK/ERK pathwayIndolesBronchiAcetatesSulfidesBiologyCysteinyl leukotriene-1cysteinyl leukotrieneCell LineLeukotriene D4MaleimidesInterferon-gammaCell AdhesionHumansProtein kinase ACells CulturedProtein kinase CReceptors LeukotrienePharmacologyKinaseMEK inhibitorMembrane ProteinsEpithelial CellsIntercellular Adhesion Molecule-1Intercellular adhesion moleculeCell biologyEosinophilsSTAT1 Transcription FactorQuinolinesLeukotriene AntagonistsMolecular MedicinePhosphorylationMitogen-Activated Protein KinasesSignal transduction
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Furocoumarins as multi-target agents in the treatment of cystic fibrosis.

2019

Multi-target molecular entities, offer a path to progress both in understanding causes of disease and in defining effective small molecule treatments. Coumarin and its derivatives belong to an important group of natural compounds with diverse biological properties. They are found in vegetables and plants for which literature reports thousands of publications for the great variety of biological applications among which the photoprotective effects, thus being considered multi-targeting agents. Their furan condensed analogues constitute the family of furocoumarins, less represented in the literature, endowed with photosensitizing properties and often used for the treatment of skin diseases suc…

Cystic FibrosisFurocoumarinComputational biologyCystic fibrosisStructure-Activity RelationshipMulti targetCoumarinsBiological propertyFurocoumarinsDrug DiscoverymedicineCystic fibrosis (CF)HumansCFTR modulatorPharmacologyDose-Response Relationship DrugMolecular StructureChemistryOrganic ChemistryGeneral Medicinemedicine.diseaseCFTR modulatorsMulti-target agentsSmall moleculeFurocoumarinsCFTR modulators; Cystic fibrosis (CF); Furocoumarins; Multi-target agentsEuropean journal of medicinal chemistry
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Study of electrostatic potential surface distribution of wild-type plastocyaninSynechocystissolution structure determined by homonuclear NMR

2003

Plastocyanin is a small (∼10 kDa), type I blue copper protein that works as an electron donor to photosystem I from cytochrome f in both chloroplast systems and in some strains of cyanobacteria. Comparative studies of the kinetic mechanisms of plastocyanins in different organisms show that the electron transfer from photosystem I happens by simple collision in cyanobacteria but through a intermediate transition complex in green algae and superior plants. Previous work has proved that this effect cannot be explained by structural variations across the different plastocyanins but it can be explained by differences in the electrostatic potential distribution at the protein surface. In that cas…

Cytochrome fbiologyChemistryOrganic ChemistrySynechocystisBiophysicsGeneral Medicinebiology.organism_classificationPhotosystem IBiochemistryElectron transport chainHomonuclear moleculeBiomaterialsCrystallographySide chainPlastocyaninTwo-dimensional nuclear magnetic resonance spectroscopyBiopolymers
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Ectodomain shedding of L1 adhesion molecule promotes cell migration by autocrine binding to integrins.

2001

The L1 adhesion molecule plays an important role in axon guidance and cell migration in the nervous system. L1 is also expressed by many human carcinomas. In addition to cell surface expression, the L1 ectodomain can be released by a metalloproteinase, but the biological function of this process is unknown. Here we demonstrate that membrane-proximal cleavage of L1 can be detected in tumors and in the developing mouse brain. The shedding of L1 involved a disintegrin and metalloproteinase (ADAM)10, as transfection with dominant-negative ADAM10 completely abolishes L1 release. L1-transfected CHO cells (L1-CHO) showed enhanced haptotactic migration on fibronectin and laminin, which was blocked …

CytoplasmIntegrinsL1; shedding; ADAM10; cell migration; integrinsADAM10IntegrinGene ExpressionCHO CellsBiologyArticle03 medical and health sciencesParacrine signallingMice0302 clinical medicineCell MovementCricetinaeEndopeptidasesTumor Cells CulturedAnimalsAspartic Acid EndopeptidasesHumansReceptors VitronectinFibrinolysinNeural Cell Adhesion Molecules030304 developmental biology0303 health sciencesBinding SitesMembrane GlycoproteinsCell adhesion moleculeCell MembraneAntibodies MonoclonalBrainCell migrationBiological TransportCell BiologyMolecular biologyPeptide FragmentsCell biologyFibronectinAutocrine CommunicationEctodomainSolubility030220 oncology & carcinogenesisbiology.proteinNeural cell adhesion moleculeAmyloid Precursor Protein SecretasesLeukocyte L1 Antigen ComplexOligopeptidesThe Journal of cell biology
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"Table 1" of "Measurements of the charge asymmetry in top-quark pair production in the dilepton final state at $\sqrt{s}=8$ TeV with the ATLAS detect…

2017

Unfolded distribution for the inclusive $\Delta|\eta|$ observable in the fiducial volume.

DELTA(ABS(ETA))Quantitative Biology::Biomolecules8000.0Proton-Proton ScatteringP P --> top + antitopAstrophysics::Instrumentation and Methods for AstrophysicsExclusiveTopTop ProductionHigh Energy Physics::ExperimentAstrophysics::Cosmology and Extragalactic AstrophysicsNuclear Experiment
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Homoleptic iron(II) complexes with the ionogenic ligand 6,6′-Bis(1H-tetrazol-5-yl)-2,2′-bipyridine: spin crossover behavior in a singular 2D spin cro…

2015

Deprotonation of the ionogenic tetradentate ligand 6,6′-bis(1H-tetrazol-5-yl)-2,2′-bipyridine [H2bipy(ttr)2] in the presence of FeII in solution has afforded an anionic mononuclear complex and a neutral two-dimensional coordination polymer formulated as, respectively, NEt3H{Fe[bipy(ttr)2][Hbipy(ttr)2]}·3MeOH (1) and {Fe[bipy(ttr)2]}n (2). The anions [Hbipy(ttr)2]− and [bipy(ttr)2]2– embrace the FeII centers defining discrete molecular units 1 with the FeII ion lying in a distorted bisdisphenoid dodecahedron, a rare example of octacoordination in the coordination environment of this cation. The magnetic behavior of 1 shows that the FeII is high-spin, and its Mössbauer spectrum is characteriz…

DEVICESCoordination polymerStereochemistryPRESSURE010402 general chemistry01 natural sciences22'-BipyridineInorganic ChemistrySINGLE MOLECULESchemistry.chemical_compoundDeprotonationSpin crossoverSYSTEMS[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryHomolepticSYNERGYCRYSTAL010405 organic chemistryLigandCOMPOUNDQuadrupole splittingSTATE3. Good health0104 chemical sciencesCrystallographychemistryOctahedronFISICA APLICADAMOSSBAUERPHASE-TRANSITIONS
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The chemistry of acetone at extreme conditions by density functional molecular dynamics simulations

2011

Density functional molecular dynamics simulations have been performed in the NVT ensemble (moles (N), volume (V) and temperature (T)) on a system formed by ten acetone molecules at a temperature of 2000 K and density ρ = 1.322 g cm(-3). These conditions resemble closely those realized at the interface of an acetone vapor bubble in the early stages of supercompression experiments and result in an average pressure of 5 GPa. Two relevant reactive events occur during the simulation: the condensation of two acetone molecules to give hexane-2,5-dione and dihydrogen and the isomerization to the enolic propen-2-ol form. The mechanisms of these events are discussed in detail.

DFT molecular dynamicsCondensationTemperatureacetoneGeneral Physics and AstronomyThermodynamicsMolecular Dynamics SimulationMolecular dynamicschemistry.chemical_compoundchemistryVolume (thermodynamics)extreme conditionPressureAcetoneQuantum TheoryPhysical chemistryVapor bubbleMoleculeDensity functional theoryPhysical and Theoretical ChemistryIsomerizationThe Journal of Chemical Physics
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Ab initio determination of the ionization potentials of DNA and RNA nucleobases

2006

Quantum chemical high level ab initio coupled-cluster and multiconfigurational perturbation methods have been used to compute vertical and adiabatic ionization potentials of the five canonical DNA and RNA nucleobases: uracil, thymine, cytosine, adenine, and guanine. Several states of their cations have been also calculated. The present results represent a systematic compendium of these magnitudes, establishing theoretical reference values at a level not reported before, calibrating computational strategies, and guiding the assignment of the features in the experimental photoelectron spectra. Daniel.Roca@uv.es Mercedes.Rubio@uv.es Manuela.Merchan@uv.es Luis.Serrano@uv.es

DNA ; Macromolecules ; Ionisation potential ; Photoelectron spectra ; Molecular biophysics ; Ab initio calculations ; Coupled cluster calculations ; Perturbation theoryGuanineGuaninePhotochemistryAb initioBiophysicsGeneral Physics and AstronomyIonisation potentialPerturbation theoryNucleobasechemistry.chemical_compoundCytosinePhotoelectron spectraCoupled cluster calculationsAb initio quantum chemistry methodsComputational chemistryIonizationPhysics::Atomic and Molecular ClustersPhysical and Theoretical ChemistryUracil:FÍSICA::Química física [UNESCO]IonsPhysics::Biological PhysicsQuantitative Biology::BiomoleculesBase CompositionChemistry PhysicalAdenineUracilDNAMolecular biophysicsQuantitative Biology::GenomicsThymineUNESCO::FÍSICA::Química físicachemistryMacromoleculesCalibrationQuantum TheoryRNAAb initio calculationsCytosineSoftwareThymine
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A breakdown in macromolecular synthesis preceding differentiation in Streptomyces coelicolor A3(2)

1990

Summary: A transitory cessation of growth was recorded in Streptomyces coelicolor A3(2) at the end of vegetative mycelium formation on solid medium. In the same phase a striking reduction in protein and nucleic acid synthesis was detected. Growth and macromolecular synthesis resumed, nearly reaching the original values, when morphological differentiation occurred. It is concluded that a physiological stress occurs within the bacterial population just before the onset of the morphological differentiation.

DNA ReplicationDNA BacterialbiologyStreptomycetaceaeCell CycleStreptomyces coelicolorbiology.organism_classificationMicrobiologyStreptomycesKineticsRNA Bacterialchemistry.chemical_compoundBiochemistryBiosynthesischemistryProtein BiosynthesisNucleic acidActinomycetalesBacteriaMyceliumMacromoleculeJournal of General Microbiology
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