Search results for "ylid"

showing 10 items of 1155 documents

Negatively Charged Gangliosides Promote Membrane Association of Amphipathic Neurotransmitters

2018

Lipophilic neurotransmitters (NTs) such as dopamine are chemical messengers enabling neurotransmission by adhering onto the extracellular surface of the post-synaptic membrane in a synapse, followed by binding to their receptors. Previous studies have shown that the strength of the NT-membrane association is dependent on the lipid composition of the membrane. Negatively charged lipids such as phosphatidylserine, phosphatidylglycerol, and phosphatidic acid have been indicated to promote NT-membrane binding, however these anionic lipids reside almost exclusively in the intracellular leaflet of the post-synaptic membrane instead of the extracellular leaflet facing the synaptic cleft. Meanwhile…

0301 basic medicineMOLECULAR-DYNAMICS SIMULATIONSBIOMOLECULAR SYSTEMSkolesteroliasetyylikoliiniSynaptic TransmissionsolukalvotCell membranechemistry.chemical_compoundSCHIZOPHRENIAmolekyylidynamiikkamolecular dynamics (MD)neurotransmissionvälittäjäaineetChemistryLIPID-MEMBRANESGeneral NeurosciencePhosphatidylserineALZHEIMERS-DISEASEMembranemedicine.anatomical_structureHAMILTONIAN REPLICA EXCHANGElipids (amino acids peptides and proteins)dopamineIntracellularneurotransmittermonosialotetrahexosylganglioside (GM1)Synaptic cleftG(M1) GangliosideMolecular Dynamics SimulationNeurotransmission03 medical and health sciencesExtracellularmedicineAnimalsmonosialotetrahexosylgangliosidebinding free energyPhosphatidylglyceroldopamiiniBinding SitesCell Membranehistamiini3112 Neurosciencesta1182cholesterolBILAYERhistamineacetylcholinehermosolut030104 developmental biologyFORCE-FIELDBiophysicssynapsit
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The IgGFc-binding protein FCGBP is secreted with all GDPH sequences cleaved but maintained by interfragment disulfide bonds

2021

Mucus forms an important protective barrier that minimizes bacterial contact with the colonic epithelium. Intestinal mucus is organized in a complex network with several specific proteins, including the mucin-2 (MUC2) and the abundant IgGFc-binding protein, FCGBP. FCGBP is expressed in all intestinal goblet cells and is secreted into the mucus. It is comprised of repeated von Willebrand D (vWD) domain assemblies, most of which have a GDPH amino acid sequence that can be autocatalytically cleaved, as previously observed in the mucins MUC2 and mucin-5AC. However, the functions of FCGBP in the mucus are not understood. We show that all vWD domains of FCGBP with a GDPH sequence are cleaved and …

0301 basic medicineMUC5AC mucin-5ACMUC2 mucin-2 (Muc2 mouse)vWF von Willebrand factorBiochemistryvon Willebrand domainchemistry.chemical_compoundPVDF polyvinylidene difluorideMiceCricetinaeDisulfidesIntestinal MucosaPeptide sequenceEndoH endoglycosidase HbiologyChemistryrespiratory systemGDPH Gly-Asp-Pro-HisChaotropic agentBiochemistryWB Western blotIodoacetamideGuHCl guanidinium chlorideResearch ArticleIgG immunoglobulin GvWD von Willebrand D domainCHO CellsCHO Chinese hamster ovary03 medical and health sciencesEndoglycosidase HCricetulusProtein Domainsmucusvon Willebrand FactorAnimalsHumansintestinal epitheliumMolecular BiologyintestineFCGBP IgGFc-binding protein (Fcgbp mouse)GAPH Gly-Ala-Pro-HisMucin-2030102 biochemistry & molecular biologycolonBinding proteinEndoplasmic reticulumMucinITH3 inter-alpha-trypsin inhibitor heavy chain 3Cell BiologyMucusMice Inbred C57BL030104 developmental biologyMUC2Proteolysisbiology.proteinImmunoglobulin G (IgG)IAA iodoacetamideCell Adhesion MoleculesdisulfideThe Journal of Biological Chemistry
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Life history adjustments to intestinal inflammation in a gut nematode.

2017

ABSTRACT Many parasitic nematodes establish chronic infections. This implies a finely tuned interaction with the host immune response in order to avoid infection clearance. Although a number of immune interference mechanisms have been described in nematodes, how parasites adapt to the immune environment provided by their hosts remains largely unexplored. Here, we used the gastrointestinal nematode Heligmosomoides polygyrus to investigate the plasticity of life history traits and immunomodulatory mechanisms in response to intestinal inflammation. We adopted an experimental model of induced colitis and exposed worms to intestinal inflammation at two different developmental stages (larvae and …

0301 basic medicinePhysiologyPhenotypic plasticityAquatic ScienceHost-Parasite InteractionsImmunomodulation03 medical and health sciencesMice0302 clinical medicineImmune systemparasitic diseases[ SDV.EE.IEO ] Life Sciences [q-bio]/Ecology environment/Symbiosismedicine[ SDV.IMM ] Life Sciences [q-bio]/ImmunologyAnimalsColitisAdaptationIntestinal Diseases ParasiticMolecular BiologyLife History TraitsEcology Evolution Behavior and SystematicsStrongylida InfectionsInfectivityInflammationStrongyloideaPhenotypic plasticityMice Inbred BALB CbiologyHost (biology)Dextran SulfateInflammatory responseHelminth Proteinsmedicine.diseasebiology.organism_classification3. Good healthIntestinesDisease Models Animal030104 developmental biologyNematodeInfectivityInsect ScienceLarvaImmunology[SDV.IMM]Life Sciences [q-bio]/ImmunologyAnimal Science and ZoologyHeligmosomoides polygyrusAdaptation030215 immunology[SDV.EE.IEO]Life Sciences [q-bio]/Ecology environment/SymbiosisThe Journal of experimental biology
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Early life infection and host senescence

2018

IF 3.224 (2017); International audience; Advanced age is often associated with a chronic inflammatory status and inflammatory diseases. It has been suggested that exposure to infectious agents that stimulate the inflammatory response at early ages might have carry over effects in terms of accelerated senescence and increased mortality at late ages. However, not all pathogens and parasites have pro-inflammatory effects. In particular, parasitic nematodes have been shown to dampen the inflammatory response and to prevent or alleviate the symptoms of inflammatory diseases. We, therefore, tentatively predicted that early infection with a parasite that has anti-inflammatory properties might post…

0301 basic medicineSenescenceMaleAgingLPSRodent[SDV.MHEP.PHY] Life Sciences [q-bio]/Human health and pathology/Tissues and Organs [q-bio.TO]LongevityInflammationHeligmosomoides polygyrusBiochemistryHost-Parasite Interactions03 medical and health sciencesMice0302 clinical medicineEndocrinologyBiomarkers of aging[SDV.MHEP.MI]Life Sciences [q-bio]/Human health and pathology/Infectious diseasesbiology.animalGeneticsmedicine[SDV.MHEP.PHY]Life Sciences [q-bio]/Human health and pathology/Tissues and Organs [q-bio.TO]AnimalsMolecular BiologyStrongylida InfectionsNematodeInflammationNematospiroides dubiusbiology[SDV.MHEP.GEG] Life Sciences [q-bio]/Human health and pathology/Geriatry and gerontologyHost (biology)[SDV.MHEP.GEG]Life Sciences [q-bio]/Human health and pathology/Geriatry and gerontologyCell Biologybiology.organism_classificationPhenotype3. Good healthDisease Models Animal030104 developmental biologyNematodeImmunology[SDV.MHEP.MI] Life Sciences [q-bio]/Human health and pathology/Infectious diseasesMice Inbred CBAFemaleHeligmosomoides polygyrusmedicine.symptomBiomarkers[SDV.MHEP]Life Sciences [q-bio]/Human health and pathology030215 immunology
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Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simu…

2021

Abstract The biosynthesis of R-phenylacetylcarbinol (R-PAC) by the acetohydroxy acid synthase, (AHAS) is addressed by molecular dynamics simulations (MD), hybrid quantum mechanics/molecular mechanics (QM/MM), and QM/MM free energy calculations. The results show the reaction starts with the nucleophilic attack of the C2α atom of the HEThDP intermediate on the Cβ atom of the carbonyl group of benzaldehyde substrate via the formation of a transition state (TS1) with the HEThDP intermediate under 4′-aminopyrimidium (APH+) form. The calculated activation free energy for this step is 17.4 kcal mol−1 at 27 °C. From this point, the reaction continues with the abstraction of Hβ atom of the HEThDP in…

0301 basic medicinechemistry.chemical_classification030102 biochemistry & molecular biologyBiophysicsSubstrate (chemistry)Molecular Dynamics SimulationBiochemistryMolecular mechanicsBenzaldehydeAcetolactate Synthase03 medical and health scienceschemistry.chemical_compoundMolecular dynamics030104 developmental biologychemistryCatalytic cycleNucleophileYlideQuantum mechanicsAtomQuantum TheoryMolecular BiologyBenzyl AlcoholsArchives of Biochemistry and Biophysics
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A new class of phenylhydrazinylidene derivatives as inhibitors of Staphylococcus aureus biofilm formation

2016

In the struggle against the emergence of the antibiotic resistance, new molecules targeting biofilm formation could be useful as adjuvant of conventional antibiotics. This study focused on a new class of 2-phenylhydrazinylidene derivatives as antivirulence agents. The compound 12e showed interesting activities against biofilm formation of all tested Staphylococcus aureus strains with IC50 ranging from 1.7 to 43 µM; compounds 12f and 13a resulted strong inhibitors of S. aureus ATCC 6538 and ATCC 29213 biofilm formation with IC50 of 0.9 and 0.8 µM, respectively. A preliminary study on the mechanism of action was carried on evaluating the inhibition of sortase A transpeptidase. Compound 12e re…

0301 basic medicinemedicine.drug_class030106 microbiologyAntibioticsBacterial adhesionAntibiofilm agentSettore BIO/19 - Microbiologia Generalemedicine.disease_causeMicrobiologyAntivirulence agent03 medical and health sciencesAntibiotic resistanceIn vivomedicineGeneral Pharmacology Toxicology and PharmaceuticsbiologyChemistrySortase AOrganic ChemistryBiofilmPhenylhydrazinylidene derivativebiochemical phenomena metabolism and nutritionbiology.organism_classificationSettore CHIM/08 - Chimica FarmaceuticaGalleria mellonellaSettore AGR/11 - Entomologia Generale E Applicata030104 developmental biologyMechanism of actionBiochemistryStaphylococcus aureusPharmacology Toxicology and Pharmaceutics (all)Sortase Amedicine.symptomMedicinal Chemistry Research
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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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CCDC 145652: Experimental Crystal Structure Determination

2000

Related Article: S.Fustero, M.Garcia de la Torre, M.C.Ramirez de Arellano|2000|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|56|e213|doi:10.1107/S0108270100005217

1-Chloro-11-difluoro-N'-(4-methoxyphenyl)-3-(2-pyrrolidinylidene)propan-2-imineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2090126: Experimental Crystal Structure Determination

2021

Related Article: Chris Gendy, J. Mikko Rautiainen, Aaron Mailman, Heikki M. Tuononen|2021|Chem.-Eur.J.|27|14405|doi:10.1002/chem.202102804

1-[26-bis(propan-2-yl)phenyl]-2244-tetramethyl-5-[222-tris(trimethylsilyl)digermanylidene]pyrrolidine radicalSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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