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showing 10 items of 14808 documents

Recombinant anthrax protective antigen: Observation of aggregation phenomena by TEM reveals specific effects of sterols.

2017

Abstract Negatively stained transmission electron microscope images are presented that depict the aggregation of recombinant anthrax protective antigen (rPA83 monomer and the PA63 prepore oligomer) under varying in vitro biochemical conditions. Heat treatment (50 °C) of rPA83 produced clumped fibrils, but following heating the PA63 prepore formed disordered aggregates. Freeze-thaw treatment of the PA63 prepore generated linear flexuous aggregates of the heptameric oligomers. Aqueous suspensions of cholesterol microcrystals were shown to bind small rPA83 aggregates at the edges of the planar bilayers. With PA63 a more discrete binding of the prepores to the crystalline cholesterol bilayer ed…

0301 basic medicineModels MolecularHot TemperatureBacterial ToxinsGeneral Physics and AstronomyFibrilOligomerNegative Staining03 medical and health scienceschemistry.chemical_compoundProtein AggregatesMicroscopy Electron TransmissionStructural BiologyFreezingGeneral Materials ScienceAntigens BacterialAqueous solutionChemistryBilayerCell BiologyHydrogen-Ion ConcentrationNegative stainSterolRecombinant ProteinsCrystallographySterols030104 developmental biologyMonomerCholesterolTransmission electron microscopyCrystallizationDeoxycholic AcidMicron (Oxford, England : 1993)
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Bioactive triterpenes of protium heptaphyllum gum resin extract display cholesterol-lowering potential

2021

Hypercholesterolemia is one of the major causes of cardiovascular disease, the risk of which is further increased if other forms of dyslipidemia occur. Current therapeutic strategies include changes in lifestyle coupled with drug administration. Statins represent the most common therapeutic approach, but they may be insufficient due to the onset of resistance mechanisms and side effects. Consequently, patients with mild hypercholesterolemia prefer the use of food supplements since these are perceived to be safer. Here, we investigate the phytochemical profile and cholesterol-lowering potential of Protium heptaphyllum gum resin extract (PHE). Chemical characterization via HPLC-APCI-HRMS2 and…

0301 basic medicineModels MolecularProtein ConformationDrug Evaluation Preclinical030204 cardiovascular system & hematologyPharmacologyPPARαTerpenelcsh:ChemistryPCSK9chemistry.chemical_compound0302 clinical medicineCatalytic DomainSettore BIO/10 - BiochimicaPlant Gumslcsh:QH301-705.5SpectroscopyChromatography High Pressure LiquidFlame IonizationMonacolinChemistryAnticholesteremic AgentsGeneral MedicineComputer Science ApplicationsMolecular Docking SimulationCholesterolPhytochemicalMolecular dockinglipids (amino acids peptides and proteins)Breu brancoStatinmedicine.drug_classHypercholesterolemiaArticleCatalysisGas Chromatography-Mass SpectrometryInorganic Chemistry03 medical and health sciencesNutraceuticalmedicineHumansLovastatinPhysical and Theoretical ChemistryMolecular BiologyOleananeHMGCREnzymatic activityCholesterolPCSK9Organic ChemistryStatinSettore CHIM/08 - Chimica FarmaceuticaTriterpenes030104 developmental biologyhypercholesterolemia; gene expression; HMGCR; PCSK9; PPARα; enzymatic activity; molecular docking; statin; monacolin; breu brancolcsh:Biology (General)lcsh:QD1-999Breu branco; Enzymatic activity; Gene expression; HMGCR; Hypercholesterolemia; Molecular docking; Monacolin; PCSK9; PPARα; StatinLDL receptorDietary SupplementsHepatocytesSettore BIO/14 - FarmacologiaGene expressionHydroxymethylglutaryl-CoA Reductase InhibitorsResins PlantHydrogen
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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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Structure of AP205 Coat Protein Reveals Circular Permutation in ssRNA Bacteriophages.

2016

We are thankful to the MAX-lab staff for their support during our visit at the synchrotron.; International audience; AP205 is a single-stranded RNA bacteriophage that has a coat protein sequence not similar to any other known single-stranded RNA phage. Here, we report an atomic-resolution model of the AP205 virus-like particle based on a crystal structure of an unassembled coat protein dimer and a cryo-electron microscopy reconstruction of the assembled particle, together with secondary structure information from site-specific solid-state NMR data. The AP205 coat protein dimer adopts the conserved Leviviridae coat protein fold except for the N-terminal region, which forms a beta-hairpin in …

0301 basic medicineModels MolecularRNA bacteriophageViral proteinCryo-electron microscopyProtein Conformation010402 general chemistrymedicine.disease_causeCrystallography X-Ray01 natural sciencesvirus-like particleBacteriophage03 medical and health sciencesStructural Biology[CHIM.ANAL]Chemical Sciences/Analytical chemistryLeviviridaemedicineRNA VirusesBacteriophages[SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biochemistry [q-bio.BM]Molecular BiologyProtein secondary structurebiologyCryoelectron MicroscopyRNA[SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry Molecular Biology/Molecular biologycircular permutationRNA PhagesCircular permutation in proteinsbiology.organism_classification3. Good health0104 chemical sciencesCrystallography030104 developmental biologycoat proteinBiophysicsLeviviridaeCapsid ProteinsJournal of molecular biology
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Interradicular Root Canals in Mandibular First Molars: A Literature Review and Ex Vivo Study

2019

Abstract Introduction Successful endodontic treatment vastly depends to a high degree on an accurate knowledge of root canal system morphology. It is a prerequisite to be aware of all possible reservoirs where bacteria and/or toxins can persist, compromising the surrounding tissues; such knowledge results in endodontic success. Methods The presence of interradicular canals and diverticula between the pulp chamber floor and the bifurcation area surface of 117 mandibular first molars was investigated. Access cavities were prepared, the teeth were embedded in plastic, and the pulp chambers were flooded with methylene blue and then centrifuged. An average of 4.2 (0.145 ± 0.03 mm thickness) slic…

0301 basic medicineMolarRoot canalDentistryMandibleChemical cleaningTreatment failure03 medical and health sciences0302 clinical medicinestomatognathic systemmedicineHumansGeneral DentistryMicroscopybusiness.industryClinical performanceA diamond030206 dentistryMolarRoot Canal Therapystomatognathic diseases030104 developmental biologymedicine.anatomical_structurePulp (tooth)Dental Pulp CavitybusinessJournal of Endodontics
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Exosomal Chaperones and miRNAs in Gliomagenesis: State-of-Art and Theranostics Perspectives

2018

Gliomas have poor prognosis no matter the treatment applied, remaining an unmet clinical need. As background for a substantial change in this situation, this review will focus on the following points: (i) the steady progress in establishing the role of molecular chaperones in carcinogenesis; (ii) the recent advances in the knowledge of miRNAs in regulating gene expression, including genes involved in carcinogenesis and genes encoding chaperones; and (iii) the findings about exosomes and their cargo released by tumor cells. We would like to trigger a discussion about the involvement of exosomal chaperones and miRNAs in gliomagenesis. Chaperones may be either targets for therapy, due to their…

0301 basic medicineMolecular ChaperoneCellReviewmedicine.disease_causelcsh:ChemistryGene expressiontheranostic toolslcsh:QH301-705.5SpectroscopyChaperone GeneSettore MED/27 - Neurochirurgiamolecular chaperonesGliomaGeneral MedicineHsp60Extracellular MatrixComputer Science ApplicationsCell Transformation Neoplasticmedicine.anatomical_structuregliomas; molecular chaperones; Hsps (Heat shock proteins); Hsp60; miRNA; exosomes; extracellular vesicles; theranostic toolsextracellular vesiclesHumanexosomesBiologyCatalysisInorganic Chemistry03 medical and health sciencesGliomamicroRNAmedicineAnimalsHumansHsps (Heat shock proteins)Physical and Theoretical ChemistryMolecular BiologyGenemiRNAAnimalSettore BIO/16 - Anatomia UmanaOrganic ChemistryBiological Transportmedicine.diseaseMicrovesiclesExosomegliomasMicroRNAs030104 developmental biologylcsh:Biology (General)lcsh:QD1-999Cancer researchextracellular vesicleTheranostic toolCarcinogenesisInternational Journal of Molecular Sciences
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Back to the oligomeric state: pH-induced dissolution of concanavalin A amyloid-like fibrils into non-native oligomers

2016

The subtle interplay between long range electrostatic forces, hydrophobic interactions and short range protein-protein interactions regulates the onset/evolution of protein aggregation processes as well as the stability of protein supramolecular structures. Using a combination of FTIR spectroscopy, light scattering and advanced imaging, we present evidence on the main role of electrostatic forces in the formation and stability of amyloid-like fibrils formed from concanavalin A (ConA), a protein showing structural homology with the human serum amyloid protein. At high protein concentration, where protein-protein interactions cannot be neglected, we highlight a thermal-induced aggregation pat…

0301 basic medicineMorphology (linguistics)biologyChemistryGeneral Chemical EngineeringChemistry (all)Supramolecular chemistryGeneral ChemistryProtein aggregationFibrilHydrophobic effect03 medical and health sciencesCrystallography030104 developmental biologyConcanavalin Abiology.proteinChemical Engineering (all)Fourier transform infrared spectroscopyDissolutionRSC Advances
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4D (x-y-z-t) imaging of thick biological samples by means of Two-Photon inverted Selective Plane Illumination Microscopy (2PE-iSPIM)

2015

AbstractIn the last decade light sheet fluorescence microscopy techniques, such as selective plane illumination microscopy (SPIM), has become a well established method for developmental biology. However, conventional SPIM architectures hardly permit imaging of certain tissues since the common sample mounting procedure, based on gel embedding, could interfere with the sample morphology. In this work we propose an inverted selective plane microscopy system (iSPIM), based on non-linear excitation, suitable for 3D tissue imaging. First, the iSPIM architecture provides flexibility on the sample mounting, getting rid of the gel-based mounting typical of conventional SPIM, permitting 3D imaging of…

0301 basic medicineMultidisciplinaryMaterials sciencePhotonImage qualitybusiness.industryScatteringBright-field microscopy01 natural sciencesArticle010309 optics03 medical and health sciences030104 developmental biologyOpticsTwo-photon excitation microscopyLight sheet fluorescence microscopy0103 physical sciencesMicroscopybusinessSelective Plane Illumination MicroscopyExcitation
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Stable radical anions generated from a porous perylenediimide metal-organic framework for boosting near-infrared photothermal conversion

2019

Radical anions of electron-deficient systems are widely used, but are easily reoxidized upon exposure to air. Therefore, the stabilization of radical anions under ambient conditions is of great significance, but still remains a scientific challenge. Herein, perylenediimide is employed to prepare a crystalline metal-organic framework for stabilizing radical anions without extensive chemical modification. The porous, three-dimensional framework of perylenediimide can trap electron donors such as amine vapors and produce radical anions in-situ through photo-induced electron transfer. The radical anions are protected against quenching by shielding effect in air and remain unobstructed in air fo…

0301 basic medicineMultidisciplinaryMaterials scienceScienceQNear-infrared spectroscopyGeneral Physics and AstronomyChemical modification02 engineering and technologyGeneral ChemistryPhotothermal therapy021001 nanoscience & nanotechnologyPhotochemistryArticleGeneral Biochemistry Genetics and Molecular Biology03 medical and health sciencesElectron transfer030104 developmental biologyShielding effectMetal-organic frameworkAmine gas treatinglcsh:Q0210 nano-technologyPorositylcsh:ScienceNature Communications
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Oleanane-type glycosides from the roots of Weigela florida “rumba” and evaluation of their antibody recognition

2018

Three triterpene glycosides were isolated from the roots of Weigela florida "rumba" (Bunge) A. DC.: two previously undescribed 3-O-β-d-xylopyranosyl-(1→2)-[β-d-xylopyranosyl-(1→4)]-β-d-xylopyranosyl-(1→4)-β-d-xylopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-α-l-arabinopyranosyloleanolic acid (1) and 3-O-β-d-xylopyranosyl-(1→2)-[β-d-glucopyranosyl-(1→4)]-β-d-xylopyranosyl-(1→4)-β-d-xylopyranosyl-(1→3)-α-l-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyloleanolic acid (2), and one isolated for the first time from a natural source 3-O-β-d-xylopyranosyl-(1→3)-α-l-rhamnopyranosyl-(1→2)-α-l-arabinopyranosyloleanolic acid (3). Their structures were elucidated mainly by 2D NMR spectroscopic analysis (COSY, …

0301 basic medicineMultiple SclerosisStereochemistryEnzyme-Linked Immunosorbent AssayCaprifoliaceaePlant Roots01 natural sciences03 medical and health scienceschemistry.chemical_compoundTriterpeneDrug DiscoveryHumansGlycosidesOleanolic AcidCaprifoliaceaeOleanolic acidOleananePharmacologychemistry.chemical_classificationMolecular Structurebiology010405 organic chemistryGlycosideGeneral Medicinebiology.organism_classification0104 chemical sciences030104 developmental biologyImmunoglobulin MchemistryImmunoglobulin Mbiology.proteinAntibodyTwo-dimensional nuclear magnetic resonance spectroscopyFitoterapia
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