Search results for "binding site"

showing 10 items of 856 documents

ERa dimerization: a key factor for the weak estrogenic activity of an ERa modulator unable to compete with estradiol in binding assays

2016

PMID: 27400858; International audience; AbstractEstrothiazine (ESTZ) is a weak estrogen sharing structural similarities with coumestrol. ESTZ failed to compete with [3H]17β-estradiol ([3H]17β-E2) for binding to the estrogen receptor α (ERα), questioning its ability to interact with the receptor. However, detection by atomic force spectroscopy (AFS) of an ESTZ-induced ERα dimerization has eliminated any remaining doubts. The effect of the compound on the proliferation of ERα-positive and negative breast cancer cells confirmed the requirement of the receptor. The efficiency of ESTZ in MCF-7 cells was weak without any potency to modify the proliferation profile of estradiol and coumestrol. Gro…

0301 basic medicinemedicine.medical_specialtyTranscription Geneticmedicine.drug_class[SDV]Life Sciences [q-bio]ThiazinesEstrogen receptorBreast NeoplasmsPhytoestrogensCoumestrol[ CHIM ] Chemical SciencesBiochemistry[SPI.MAT]Engineering Sciences [physics]/Materials03 medical and health scienceschemistry.chemical_compound0302 clinical medicineInternal medicinemedicineHumans[CHIM]Chemical SciencesBinding site[SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/MicroelectronicsReceptorMolecular BiologyEstrogen receptor beta[SPI.ACOU]Engineering Sciences [physics]/Acoustics [physics.class-ph]Binding Sites[ SDV ] Life Sciences [q-bio]EstradiolSpectrophotometry AtomicEstrogen Receptor alphaCell BiologyCell biologyTranscription Factor AP-1030104 developmental biologyEndocrinologychemistryMechanism of actionEstrogen030220 oncology & carcinogenesisMCF-7 CellsFemalemedicine.symptomDimerizationEstrogen receptor alphaProtein Binding
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Immunomodulatory Therapy of Inflammatory Liver Disease Using Selectin-Binding Glycopolymers

2017

Immunotherapies have the potential to significantly advance treatment of inflammatory disease and cancer, which are in large part driven by immune cells. Selectins control the first step in immune cell adhesion and extravasation, thereby guiding leukocyte trafficking to tissue lesions. We analyzed four different highly specific selectin-binding glycopolymers, based on linear poly(2-hydroxypropyl)-methacrylamide (PHPMA) polymers. These glycopolymers contain either the tetrasaccharide sialyl-LewisX (SLeX) or the individual carbohydrates fucose, galactose, and sialic acids mimicking the complex SLeX binding motive. The glycopolymers strongly bind to primary human macrophages, without activatin…

0301 basic medicinemedicine.medical_treatmentGeneral Physics and Astronomy02 engineering and technologyFucoseImmunomodulationMice03 medical and health scienceschemistry.chemical_compoundImmune systemPolysaccharidesmedicineAnimalsHumansGeneral Materials ScienceCell adhesionCells CulturedInflammationBinding SitesbiologyChemistryLiver DiseasesGeneral EngineeringImmunotherapy021001 nanoscience & nanotechnologyDynamic Light ScatteringExtravasationIn vitro3. Good healthMice Inbred C57BLDisease Models Animal030104 developmental biologyBiochemistryConcanavalin ASelectinsbiology.proteinCancer researchCytokines0210 nano-technologySelectinACS Nano
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Famotidine inhibits toll-like receptor 3-mediated inflammatory signaling in SARS-CoV-2 infection

2021

Apart from prevention using vaccinations, the management options for COVID-19 remain limited. In retrospective cohort studies, use of famotidine, a specific oral H2 receptor antagonist (antihistamine), has been associated with reduced risk of intubation and death in patients hospitalized with COVID-19. In a case series, nonhospitalized patients with COVID-19 experienced rapid symptom resolution after taking famotidine, but the molecular basis of these observations remains elusive. Here we show using biochemical, cellular, and functional assays that famotidine has no effect on viral replication or viral protease activity. However, famotidine can affect histamine-induced signaling processes i…

0301 basic medicinemedicine.medical_treatmentPharmacologyVirus ReplicationBiochemistrychemistry.chemical_compoundChemokine CCL2Coronavirus 3C ProteasesResearch ArticlesToll-like receptorbiologyNF-kappa BFamotidineMolecular Docking SimulationCytokine release syndromeCytokinemedicine.symptomSignal transductionHistaminemedicine.drugProtein BindingSignal TransductionHistamine AntagonistsInflammation03 medical and health sciencesToll-like receptormedicineHumansInterleukin 6Molecular BiologyBinding Sites030102 biochemistry & molecular biologybusiness.industryInterleukin-6SARS-CoV-2Cell Biologymedicine.diseasehistamineToll-Like Receptor 3Famotidine030104 developmental biologychemistryA549 CellsSARS-CoV2biology.proteinanti-viral signalingInterferon Regulatory Factor-3Caco-2 CellsbusinessHeLa Cells
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Evidence of gene orthology and trans-species polymorphism, but not of parallel evolution, despite high levels of concerted evolution in the major his…

2016

17 pages; International audience; The major histocompatibility complex (MHC) is a cornerstone in the study of adaptive genetic diversity. Intriguingly, highly polymorphic MHC sequences are often not more similar within species than between closely related species. Divergent selection of gene duplicates, balancing selection maintaining trans-species polymorphism (TSP) that predate speciation and parallel evolution of species sharing similar selection pressures can all lead to higher sequence similarity between species. In contrast, high rates of concerted evolution increase sequence similarity of duplicated loci within species. Assessing these evolutionary models remains difficult as related…

0301 basic medicineparallel evolutionancestral polymorphismflamingosAllopatric speciationBalancing selectionMajor histocompatibility complexBirdsMajor Histocompatibility Complex03 medical and health sciencesmajor histocompatibility complex genesSpecies Specificityantigen-binding siteConvergent evolutionMHC class IAnimalsconvergent evolutionEcology Evolution Behavior and SystematicsGeneticsGenetic diversity[ SDE.BE ] Environmental Sciences/Biodiversity and EcologyConcerted evolution[SDV.GEN.GPO]Life Sciences [q-bio]/Genetics/Populations and Evolution [q-bio.PE]Polymorphism Geneticgene orthologybiology15. Life on landBiological Evolution[ SDV.GEN.GPO ] Life Sciences [q-bio]/Genetics/Populations and Evolution [q-bio.PE]030104 developmental biologyEvolutionary biologySympatric speciationtrans-species polymorphismbiology.protein[SDE.BE]Environmental Sciences/Biodiversity and Ecologyconcerted evolution
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The Role of Adrenoceptors in the Retina

2020

The retina is a part of the central nervous system, a thin multilayer with neuronal lamination, responsible for detecting, preprocessing, and sending visual information to the brain. Many retinal diseases are characterized by hemodynamic perturbations and neurodegeneration leading to vision loss and reduced quality of life. Since catecholamines and respective bindings sites have been characterized in the retina, we systematically reviewed the literature with regard to retinal expression, distribution and function of alpha1 (α1)-, alpha2 (α2)-, and beta (β)-adrenoceptors (ARs). Moreover, we discuss the role of the individual adrenoceptors as targets for the treatment of retinal diseases.

0301 basic medicineretinaAdrenergic receptorgenetic structuresCentral nervous systemReviewα<sub>1</sub>-ARBiology03 medical and health scienceschemistry.chemical_compound0302 clinical medicineRetinal DiseasesmedicinedistributionAnimalsHumansα1-ARlcsh:QH301-705.5NeuronsRetinafunctionBinding Sitesα<sub>2</sub>-ARNeurodegenerationRetinalNeurodegenerative DiseasesGeneral Medicinemedicine.diseaseeye diseasesReceptors Adrenergic030104 developmental biologymedicine.anatomical_structurechemistrylcsh:Biology (General)β-ARNeuroscience030217 neurology & neurosurgeryα2-ARCells
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Antiprotozoal and cysteine proteases inhibitory activity of dipeptidyl enoates

2018

A family of dipeptidyl enoates has been prepared and tested against the parasitic cysteine proteases rhodesain, cruzain and falcipain-2 related to sleeping sickness, Chagas disease and malaria, respectively. They have also been tested against human cathepsins B and L1 for selectivity. Dipeptidyl enoates resulted to be irreversible inhibitors of these enzymes. Some of the members of the family are very potent inhibitors of parasitic cysteine proteases displaying k2nd (M−1s−1) values of seven orders of magnitude. In vivo antiprotozoal testing was also performed. Inhibitors exhibited IC50 values in the micromolar range against Plasmodium falciparum, Trypanosoma brucei, Trypanosoma cruzi and ev…

0301 basic medicinesleeping sicknessClinical BiochemistryPharmaceutical Science01 natural sciencesBiochemistryCathepsin BinhibitorsDrug Discoverychemistry.chemical_classificationbiologyChemistryDipeptidesHep G2 CellsMolecular Docking SimulationCysteine EndopeptidasesBiochemistryAntiprotozoalMolecular MedicineChagas diseaseProteasesCell Survivalmedicine.drug_classPlasmodium falciparumTrypanosoma brucei bruceimalariaAntiprotozoal AgentsCysteine Proteinase InhibitorsTrypanosoma bruceicysteine proteasesInhibitory Concentration 50Structure-Activity Relationship03 medical and health sciencesparasitic diseasesmedicineHumansTrypanosoma cruziMolecular Biologychagas diseaseBinding Sites010405 organic chemistryOrganic ChemistryPlasmodium falciparumbiology.organism_classificationmedicine.diseaseProtein Structure Tertiary0104 chemical sciences030104 developmental biologyEnzymeCysteineBioorganic &amp; Medicinal Chemistry
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Structural and functional insights into lysostaphin–substrate interaction

2018

Lysostaphin from Staphylococcus simulans and its family enzymes rapidly acquire prominence as the next generation agents in treatment of S. aureus infections. The specificity of lysostaphin is promoted by its C-terminal cell wall targeting domain selectivity towards pentaglycine bridges in S. aureus cell wall. Scission of these cross-links is carried out by its N-terminal catalytic domain, a zinc-dependent endopeptidase. Understanding the determinants affecting the efficiency of catalysis and strength and specificity of interactions lies at the heart of all lysostaphin family enzyme applications. To this end, we have used NMR, SAXS and molecular dynamics simulations to characterize lysostap…

0301 basic medicinestaphylococcus aureusentsyymitStaphylococcus aureusSH3b domain030106 microbiologyPeptidePeptidoglycanProtein dynamicspeptidoglycanCleavage (embryo)PentaglycineBiochemistry Genetics and Molecular Biology (miscellaneous)Biochemistry03 medical and health scienceschemistry.chemical_compoundHydrolaseMolecular Biosciencessubstrate bindingmolekyylidynamiikkaBinding siteNMR-spektroskopiaMolecular Biologylcsh:QH301-705.5Original Researchchemistry.chemical_classificationantimikrobiset yhdisteetSubstrate InteractionLysostaphinProtein dynamicsta1182030104 developmental biologychemistrylcsh:Biology (General)Substrate bindingprotein dynamicsBiophysicsLysostaphin1182 Biochemistry cell and molecular biologyNMR structurelysostaphinpentaglycinePeptidoglycanFrontiers in Molecular Biosciences
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A Perspective : Active Role of Lipids in Neurotransmitter Dynamics

2019

AbstractSynaptic neurotransmission is generally considered as a function of membrane-embedded receptors and ion channels in response to the neurotransmitter (NT) release and binding. This perspective aims to widen the protein-centric view by including another vital component—the synaptic membrane—in the discussion. A vast set of atomistic molecular dynamics simulations and biophysical experiments indicate that NTs are divided into membrane-binding and membrane-nonbinding categories. The binary choice takes place at the water-membrane interface and follows closely the positioning of the receptors’ binding sites in relation to the membrane. Accordingly, when a lipophilic NT is on route to a m…

0301 basic medicinesynaptic neurotransmissionSynaptic cleftNeuroscience (miscellaneous)NeurotransmissionlipiditSynaptic vesicleSynaptic TransmissionSynaptic neurotransmissionArticlesolukalvotmembrane lipid composition (MLC)03 medical and health sciencesCellular and Molecular Neurosciencechemistry.chemical_compound0302 clinical medicineSynaptic receptormembrane-based sortingAnimalsHumansmolekyylidynamiikkaNeurotransmittermolecular dynamics (MD)Binding siteNeurotransmitterReceptorvälittäjäaineetIon channelNeurotransmitter AgentsmolekyylineurologiaMembrane lipid composition (MLC)Molecular dynamics (MD)Lipid MetabolismLipids030104 developmental biologyNeurologychemistrySynapsesBiophysicsSynaptic VesiclessynapsitMembrane-based sorting030217 neurology & neurosurgeryFunction (biology)neurotransmittersynaptic receptor
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Autoradiographic imaging of altered synaptic αβγ2 and extrasynaptic αβ GABAA receptors in a genetic mouse model of anxiety

2004

Abstract To image the possible alterations in brain regional GABAA receptor subtype properties in a genetic animal model of human anxiety, mice heterozygous for the deletion of GABAA receptor γ2 subunit (γ2+/−) were studied using ligand autoradiographic assays on brain cryostat sections. The [ 35 S ]TBPS binding assay was designed to reveal impaired GABA and channel site coupling shown to be more prominent in recombinant α1/6β3 than in α1/2β3γ2 or β2 subunit-containing GABAA receptors expressed in HEK 293 cells. Increased GABA-insensitive [ 35 S ]TBPS binding in the γ2+/− mouse brains was evident in the cerebral cortex and in subcortical regions, the alterations being regionally similar to …

0303 health sciencesmedicine.medical_specialtyBenzodiazepineGABAA receptormedicine.drug_classLigand binding assayHEK 293 cellsCell BiologyBiologyGABAA-rho receptorCell biology03 medical and health sciencesCellular and Molecular Neuroscience0302 clinical medicinemedicine.anatomical_structureEndocrinologyCerebral cortexInternal medicinemedicineBinding siteReceptor030217 neurology & neurosurgery030304 developmental biologyNeurochemistry International
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Preparation and structural characterization of organotin(IV) complexes with ligands containing a hetero {N} atom and a hydroxy group or hydroxy and c…

2005

AbstractTwenty-two n-butyltin(IV) and t-butyltin(IV) complexes of ligands containing an –OH (–C@O) group or –OH and –COOHgroups and an aromatic {N} donor atom were prepared by metathetical reactions. On the basis of the FT-IR and Mo¨ssbauer spec-troscopic data, molecular structures were assigned to these compounds. The binding sites of the ligands were identified by means ofFT-IR spectroscopic measurements, and it was found that in most cases the organotin(IV) moiety reacts with the phenolic form ofthese ligands. In the complexes with –OH and –COOH functions, the –COOH group is coordinated to the organotin(IV) centres in amonodentate manner. The 119 Sn Mo¨ssbauer and the FT-IR studies suppor…

2-MERCAPTOPYRIDINEStereochemistryMossbauer spectroscopyMETAL COMPLEXESchemistry.chemical_elementorganotin(IV)3-HYDROXYPYRIDINEBiochemistryMedicinal chemistryInorganic Chemistry2-HYDROXYPYRIDINEGroup (periodic table)Mössbauer spectroscopyMaterials ChemistryMoietyCRYSTAL-STRUCTURERAMAN-SPECTRAPhysical and Theoretical ChemistryBinding siteFourier transform infrared spectroscopyChemistryOrganic ChemistryX-ray diffraction DICARBOXYLIC-ACIDSFT-IRMODELTrigonal bipyramidal molecular geometryTINSettore CHIM/03 - Chimica Generale E InorganicaX-ray crystallographyTinOrganotin(IV)FT-IRMössbauer spectroscopyX-ray diffractionJournal of Organometallic Chemistry
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