Search results for "dissociation"

showing 10 items of 531 documents

High-Pressure-Driven Reversible Dissociation of α-Synuclein Fibrils Reveals Structural Hierarchy

2017

The analysis of the α-synuclein (aS) aggregation process, which is involved in Parkinson's disease etiopathogenesis, and of the structural feature of the resulting amyloid fibrils may shed light on the relationship between the structure of aS aggregates and their toxicity. This may be considered a paradigm of the ground work needed to tackle the molecular basis of all the protein-aggregation-related diseases. With this aim, we used chemical and physical dissociation methods to explore the structural organization of wild-type aS fibrils. High pressure (in the kbar range) and alkaline pH were used to disassemble fibrils to collect information on the hierarchic pathway by which distinct β-sh…

0301 basic medicineModels MolecularCircular dichroismAmyloidProtein FoldingProtein domainBeta sheetBiophysicsFibrilMicroscopy Atomic ForceSpectrum Analysis RamanDissociation (chemistry)03 medical and health sciences0302 clinical medicineProtein structureMicroscopy Electron TransmissionProtein DomainsSpectroscopy Fourier Transform InfraredEscherichia coliPressureChemistryCircular DichroismEnergy landscapeProteinsalpha synuclein amyloid recombinant proteinHydrogen-Ion ConcentrationRecombinant ProteinsCrystallography030104 developmental biologyMutationalpha-SynucleinProtein foldingProtein Conformation beta-StrandProtein Multimerization030217 neurology & neurosurgery
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Kinetic evidence for interaction of TMPyP4 with two different G-quadruplex conformations of human telomeric DNA

2018

Background: Stabilization of G-quadruplex helices by small ligands has attracted growing attention because they inhibit the activity of the enzyme telomerase, which is overexpressed in> 80% cancer cells. TMPyP4, one of the most studied G-quadruplex ligands, is used as a model to show that the ligands can exhibit different binding features with different conformations of a human telomeric specific sequence. Methods: UV–Vis, FRET melting Assay, Isothermal Titration Calorimetry, Time-resolved Fluorescence lifetime, T-Jump and Molecular Dynamics. Results: TMPyP4 yields two different complexes with two Tel22 telomeric conformations in the presence of Na+ or K+. T-Jump kinetic experiments show th…

0301 basic medicineModels MolecularReaction mechanismMolecular dynamicPorphyrinsFast reactionsBiophysicsStackingTel22 conformationsMolecular dynamicsBuffersCalorimetryMolecular Dynamics SimulationG-quadruplexLigandsNucleic Acid DenaturationBiochemistryDissociation (chemistry)Chemistry Physical and theoretical03 medical and health sciencesMolecular dynamicsQuímica físicaFluorescence Resonance Energy TransferHumansFast reactionMolecular BiologyTMPyP4ChemistryTel22 conformationIsothermal titration calorimetryTelomereSmall moleculeG-QuadruplexesCrystallographyKinetics030104 developmental biologyFörster resonance energy transferOligodeoxyribonucleotidesBiophysicSettore CHIM/03 - Chimica Generale E InorganicaPotassiumNucleic Acid ConformationThermodynamicsSpectrophotometry Ultraviolet
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The dimer-monomer equilibrium of SARS-CoV-2 main protease is affected by small molecule inhibitors

2021

AbstractThe maturation of coronavirus SARS-CoV-2, which is the etiological agent at the origin of the COVID-19 pandemic, requires a main protease Mpro to cleave the virus-encoded polyproteins. Despite a wealth of experimental information already available, there is wide disagreement about the Mpro monomer-dimer equilibrium dissociation constant. Since the functional unit of Mpro is a homodimer, the detailed knowledge of the thermodynamics of this equilibrium is a key piece of information for possible therapeutic intervention, with small molecules interfering with dimerization being potential broad-spectrum antiviral drug leads. In the present study, we exploit Small Angle X-ray Scattering (…

0301 basic medicineMolecular biologyProtein ConformationSciencemedicine.medical_treatmentDimerBiophysicsPlasma protein binding010402 general chemistryAntiviral Agents01 natural sciencesArticleDissociation (chemistry)03 medical and health scienceschemistry.chemical_compoundProtein structureX-Ray DiffractionDrug DiscoverymedicineHumansProtease InhibitorsCoronavirus 3C ProteasesVirtual screeningMultidisciplinaryProteaseSARS-CoV-2ChemistryQSARS-CoV-2 main protease Mpro enzymatic activity inhibition Small Angle X-ray Scattering small inhibitors virtual screeningRCOVID-19Computational BiologySmall moleculeComputational biology and bioinformatics0104 chemical sciencesMolecular Docking SimulationDissociation constant030104 developmental biologyBiophysicsMedicineThermodynamicsDimerizationProtein Binding
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Pressure effects on α-synuclein amyloid fibrils: An experimental investigation on their dissociation and reversible nature

2017

α–synuclein amyloid fibrils are found in surviving neurons of Parkinson's disease affected patients, but the role they play in the disease development is still under debate. A growing number of evidences points to soluble oligomers as the major cytotoxic species, while insoluble fibrillar aggregates could even play a protection role. In this work, we investigate α–synuclein fibrils dissociation induced at high pressure by means of Small Angle X-ray Scattering and Fourier Transform Infrared Spectroscopy. Fibrils were produced from wild type α–synuclein and two familial mutants, A30P and A53T. Our results enlighten the different reversible nature of α–synuclein fibrils fragmentati…

0301 basic medicineSmall AngleAmyloidHigh-pressureMutantBiophysicsmacromolecular substances010402 general chemistryFibril01 natural sciencesBiochemistryDissociation (chemistry)Scattering03 medical and health scienceschemistry.chemical_compoundX-Ray DiffractionScattering Small AngleSpectroscopy Fourier Transform InfraredPressureHumansPoint MutationFourier transform infrared spectroscopyMolecular BiologySpectroscopyAlpha-synucleinAmyloid; FTIR; High-pressure; SAXS; α-synuclein; Amyloid; Humans; Parkinson Disease; Point Mutation; Pressure; Scattering Small Angle; Solubility; Spectroscopy Fourier Transform Infrared; X-Ray Diffraction; alpha-Synuclein; Biophysics; Biochemistry; Molecular BiologySmall-angle X-ray scatteringWild typeα-synucleinParkinson DiseaseSAXSAmyloid fibril0104 chemical sciences?-synucleinCrystallography030104 developmental biologyBiophysicchemistryFTIRSolubilityFourier Transform InfraredBiophysicsalpha-SynucleinHuman
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Multiple steady states and the form of response functions to antigen in a model for the initiation of T cell activation

2017

The aim of this paper is to study the qualitative behaviour predicted by a mathematical model for the initial stage of T-cell activation. The state variables in the model are the concentrations of phosphorylation states of the T-cell receptor (TCR) complex and the phosphatase SHP-1 in the cell. It is shown that these quantities cannot approach zero and that the model possesses more than one positive steady state for certain values of the parameters. It can also exhibit damped oscillations. It is proved that the chemical concentration which represents the degree of activation of the cell, that of the maximally phosphorylated form of the TCR complex, is, in general, a non-monotone function of…

0301 basic medicineState variable1004T cellMolecular Networks (q-bio.MN)PhosphatasemultistationarityDynamical Systems (math.DS)24Dissociation (chemistry)immunology03 medical and health sciences119medicineFOS: Mathematics1008Quantitative Biology - Molecular NetworksMathematics - Dynamical Systemslcsh:ScienceReceptort cellsMultidisciplinaryChemistryT-cell receptor92C37Dissociation constant030104 developmental biologymedicine.anatomical_structureFOS: Biological sciencesBiophysicsPhosphorylationlcsh:QMathematicsResearch Article
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Inhibition of Formation of Rev-RRE Complex by Pyronin Y

1993

The interaction of pyronin Y, an RNA intercalating drug, with the binding of Rev protein from human immunodeficiency virus type 1 (HIV-1) to Rev-responsive element (RRE)-containing env RNA was studied. In gel retardation assays, recombinant Rev protein tightly bound to in vitro transcribed RRE RNA. Nitrocellulose-filter-binding studies revealed a dissociation constant of ≈(1–2) = 10−10M (Pfeifer et al., 1991). Pyronin Y efficiently suppressed formation of the Rev-RRE complex. At a concentration of 1 μg ml−1, complex formation was almost completely inhibited. Electron microscopy showed that Rev oligomerizes in the presence of RRE-containing RNA with the formation of short rod-like structures…

0301 basic medicineStereochemistryviruses030106 microbiologyResponse elementIntercalation (chemistry)RNAGeneral MedicineBiology01 natural sciencesMolecular biologyIn vitroVirus0104 chemical scienceslaw.inventionDissociation constant010404 medicinal & biomolecular chemistry03 medical and health sciencesMechanism of actionlawmedicineRecombinant DNAmedicine.symptomAntiviral Chemistry and Chemotherapy
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Pb2+complexes of small-cavity azamacrocyclic ligands: thermodynamic and kinetic studies

2017

The synthesis, acid-base behavior and Pb2+ coordination chemistry of the new aza-scorpiand like ligand 5-[2-(N-2-fluorenyl)ethylamino]-2,5,8-triaza[9]-2,6-pyridinophane (L1) have been studied by potentiometry, NMR and spectrofluorimetric titrations, and the results are compared with those obtained for the related compounds L2, lacking the fluorenyl group, and L3, the macrocycle lacking the pendant arm. The crystal structures obtained for complexes [PbL1][PbL1Cl](NO3)Cl2·4H2O (1) and [PbL3](ClO4)2 (2) reveal that the metal ion is located over the plane defined by the nitrogen atoms of the macrocyclic core due to its inability to accommodate the large Pb2+ ion in the macrocyclic cavity. For L…

0301 basic medicinechemistry.chemical_classification030102 biochemistry & molecular biologyStereochemistryLigandMetal ions in aqueous solutionCrystal structure010402 general chemistry01 natural sciencesDissociation (chemistry)0104 chemical sciencesCoordination complexIonInorganic ChemistryMetal03 medical and health sciencesCrystallographychemistryvisual_artvisual_art.visual_art_mediumLone pairDalton Transactions
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Synthesis and antiproliferative mechanism of action of pyrrolo[3′,2′:6,7] cyclohepta[1,2-d]pyrimidin-2-amines as singlet oxygen photosensitizers

2016

A new series of pyrrolo[3′,2′:6,7]cyclohepta[1,2-d]pyrimidin-2-amines, was conveniently prepared using a versatile and high yielding multistep sequence. A good number of derivatives was obtained and the cellular photocytotoxicity was evaluated in vitro against three different human tumor cell lines with EC50 (0.08–4.96 μM) values reaching the nanomolar level. Selected compounds were investigated by laser flash photolysis. The most photocytotoxic derivative, exhibiting a fairly long-lived triplet state (τ ∼ 7 μs) and absorbance in the UV–Vis, was tested in the photo-oxidations of 9,10-anthracenedipropionic acid (ADPA) by singlet oxygen. The photosentizing properties are responsible for the c…

0301 basic medicinemedicine.medical_treatmentPhotodynamic therapyChemistry Techniques SyntheticAntiproliferative activityPhotochemistry01 natural sciencesPhotodynamic therapychemistry.chemical_compound7]cyclohepta[1Drug DiscoveryTriplet stateAmineschemistry.chemical_classificationPhotosensitizing AgentsCell DeathSinglet OxygenChemistrySinglet oxygenGeneral MedicineAntiproliferative activity; Photodynamic therapy; Photosensitizing agents; Pyrrolo[3′; 2′:6; 7]cyclohepta[1; 2-d]pyrimidin-2-amines; Reactive oxygen species; Drug Discovery3003 Pharmaceutical Science; Organic Chemistry; PharmacologyPyrrolo[3′2′:67]cyclohepta[12-d]pyrimidin-2-amineSettore ING-IND/22 - Scienza E Tecnologia Dei Materiali2-d]pyrimidin-2-aminesFlash photolysisReactive oxygen specieKineticsAntineoplastic AgentsAbsorbance03 medical and health sciencesCell Line TumormedicineHumansPyrrolo[3′Cell ProliferationPharmacologyReactive oxygen speciesPhotosensitizing agentPhotolysis010405 organic chemistry2′:6Drug Discovery3003 Pharmaceutical SciencePhotodissociationOrganic ChemistryCombinatorial chemistrySettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesAntiproliferative activity; Photodynamic therapy; Photosensitizing agents; Pyrrolo[3′2′:67]cyclohepta[12-d]pyrimidin-2-amines; Reactive oxygen species; Drug Discovery3003 Pharmaceutical Science; Organic Chemistry; PharmacologyKinetics030104 developmental biologyDrug DesignReactive oxygen species
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HIV infection with viro-immunological dissociation in a patient with polycystic kidney disease: Candidate for transplantation?

2016

Highlights • Autosomal dominant polycystic kidney disease is the most common among inherited cystic kidney diseases. • Patients with HIV infection are at risk of developing acute kidney injury and chronic kidney disease. • We provide the first report of HIV infection in a patient with polycystic kidney disease. • Lymphopenia should not contraindicate kidney transplantation in patients with HIV infection.

030232 urology & nephrologyHuman immunodeficiency virus (HIV)Case ReportViro-immunological dissociationmedicine.disease_causeVirological response03 medical and health sciences0302 clinical medicinePolycystic kidney diseaseLymphopeniaPolycystic kidney diseaseMedicine030212 general & internal medicineStage (cooking)Kidney transplantationTransplantationurogenital systembusiness.industryHIV; Lymphopenia; Polycystic kidney disease; Transplantation; Viro-immunological dissociation; Infectious Diseasesvirus diseasesHIVmedicine.diseaseAntiretroviral therapyTransplantationInfectious DiseasesImmunologybusinessIDCases
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“Dissociation, posttraumatic stress symptoms, emotional dysregulation, and invalidating environments as correlates of NSSI in borderline personality …

2020

Theoretical models have proposed that inadequate caregiving environments undermine the development of adaptive regulation strategies at early stages and can lead children to inadequate regulation skills for coping with distress, such as dissociation, posttraumatic stress, and NSSI. The main aim of this work was to examine NSSI types and functions and the relationship between the aforementioned variables and lifetime NSSI in 102 patients with BPD diagnoses or BPD subthreshold symptoms. In addition, we explored the moderator role of dissociation between invalidating environments and NSSI. Results showed that 83.7% of the sample self-injured more than 5 times during their lifetime; 62.7% swall…

050103 clinical psychologyCoping (psychology)Dissociation (neuropsychology)EmotionsPopulationDissociative Disordersbehavioral disciplines and activitiesStress Disorders Post-Traumatic03 medical and health sciences0302 clinical medicineBorderline Personality DisordermedicineHumans0501 psychology and cognitive scienceseducationBorderline personality disordereducation.field_of_study05 social sciencesModerationEmotional dysregulationmedicine.disease030227 psychiatryPsychiatry and Mental healthClinical PsychologyDistressPosttraumatic stressPsychologySelf-Injurious BehaviorClinical psychologyJournal of Trauma & Dissociation
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