Search results for "Cyclohexanes"

showing 10 items of 13 documents

Crosstalk between angiotensin and the nonamyloidogenic pathway of Alzheimer's amyloid precursor protein.

2017

The association between hypertension and an increased risk for Alzheimer's disease (AD) and dementia is well established. Many data suggest that modulation of the renin-angiotensin system may be meaningful for the prevention and therapy of neurodegenerative disorders, in particular AD. Proteolytic cleavage of the amyloid precursor protein (APP) by α-secretase precludes formation of neurotoxic Aβ peptides and is expected to counteract the development of AD. An established approach for the up-regulation of α-secretase cleavage is the activation of G protein-coupled receptors (GPCRs). Therefore, our study aimed to analyze whether stimulation of angiotensin AT1 or AT2 receptors stably expressed…

0301 basic medicineAngiotensin receptorAngiotensinsBiochemistryReceptor Angiotensin Type 2Receptor Angiotensin Type 103 medical and health sciencesAmyloid beta-Protein PrecursorAlzheimer DiseaseCyclohexanesGTP-Binding Protein gamma SubunitsAmyloid precursor proteinHumansMolecular Biologybeta-ArrestinsG protein-coupled receptorAngiotensin II receptor type 1biologyChemistryGTP-Binding Protein beta SubunitsP3 peptideCell BiologyAmyloidosisAngiotensin IIGTP-Binding Protein alpha SubunitsBiochemistry of Alzheimer's diseaseCell biology030104 developmental biologyHEK293 CellsPyrazinesProteolysisbiology.proteinAmyloid Precursor Protein SecretasesAmyloid precursor protein secretaseThe FEBS journal
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The identification of vicinally substituted cyclohexane isomers in their mixtures by 1H and 13C NMR spectroscopy.

2000

The radical addition reactions of organobromine compounds, XBr (X = CH2COOMe, PhCH2, CHBr2 and CCl3) with cyclohexene afforded mixtures of cis/trans isomer pairs of 1-X-2-Br-cyclohexanes. In addition to benzyl benzoyloxy derivatives are formed also, when benzoyl peroxide is used as an initiator. Owing to the great difficulties in separating these cis/trans isomer pairs, they are identified directly in their mixtures by NMR spectroscopy. In addition to one-dimensional (ID) 1H, proton decoupled 13C and DEPT-135, also two-dimensional (2D) 13C-13C INADEQUATE as well as 1H-13C HMQC experiments have been used in assigning the signals of each compound in their mixtures. The identification of each …

Addition reactionCarbon IsotopesMagnetic Resonance SpectroscopyCyclohexaneStereochemistryCyclohexeneMolecular ConformationStereoisomerismStereoisomerismBenzoyl peroxideNuclear magnetic resonance spectroscopyTritiumMedicinal chemistryAtomic and Molecular Physics and OpticsAnalytical Chemistrychemistry.chemical_compoundchemistryCyclohexanesmedicineMolecular orbitalInstrumentationSpectroscopyCis–trans isomerismmedicine.drugSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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The atypical cannabinoid O-1602 protects against experimental colitis and inhibits neutrophil recruitment.

2011

Background: Cannabinoids are known to reduce intestinal inflammation. Atypical cannabinoids produce pharmacological effects via unidentified targets. We were interested in whether the atypical cannabinoid O-1602, reportedly an agonist of the putative cannabinoid receptor GPR55, reduces disease severity of dextran sulfate sodium (DSS) and trinitrobenzene sulfonic acid (TNBS)-induced colitis in C57BL/6N and CD1 mice. Methods: DSS (2.5% and 4%) was supplied in drinking water for 1 week while TNBS (4 mg) was applied as a single intrarectal bolus. Results: Both treatments caused severe colitis. Injection of O-1602 (5 mg/kg intraperitoneally) significantly reduced macroscopic and histological col…

AgonistMaleCannabinoid receptormedicine.drug_classColonNeutrophilsmedicine.medical_treatmentPharmacologyMotor ActivityInflammatory bowel diseaseArticleReceptors G-Protein-CoupledReceptor Cannabinoid CB2chemistry.chemical_compoundMiceReceptor Cannabinoid CB1CyclohexanesmedicineImmunology and AllergyAnimalsCannabidiolColitisReceptorReceptors CannabinoidPeroxidaseMice KnockoutAnalysis of VarianceO-1602business.industryCannabinoidsDextran SulfateGastroenterologyResorcinolsmedicine.diseaseColitisMice Inbred C57BLChemotaxis LeukocyteDisease Models AnimalchemistryGPR55Neutrophil InfiltrationTrinitrobenzenesulfonic AcidImmunologylipids (amino acids peptides and proteins)CannabinoidbusinessInflammatory bowel diseases
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Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives.

2012

We compare the energetic and structural properties of fully optimized α-helical and antiparallel β-sheet polyalanines and the energetic differences between axial and equatorial conformations of three cyclohexane derivatives (methyl, fluoro, and chloro) as calculated using several functionals designed to treat dispersion (B97-D, ωB97x-D, M06, M06L, and M06-2X) with other traditional functionals not specifically parametrized to treat dispersion (B3LYP, X3LYP, and PBE1PBE) and with experimental results. Those functionals developed to treat dispersion significantly overestimate interaction enthalpies of folding for the α-helix and predict unreasonable structures that contain Ramachandran φ and …

CyclohexaneChemistryHydrogen bondMolecular biophysicsMolecular ConformationGeneral Physics and AstronomyThermodynamicsAntiparallel (biochemistry)chemistry.chemical_compoundMolecular geometryCyclohexanesComputational chemistryTheoretical Methods and AlgorithmsQuantum TheoryThermodynamicsPhysical and Theoretical ChemistryPeptidesProtein secondary structureBasis setRamachandran plot
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Novel σ1 antagonists designed for tumor therapy: Structure – activity relationships of aminoethyl substituted cyclohexanes

2021

Abstract Depending on the substitution pattern and stereochemistry, 1,3-dioxanes 1 with an aminoethyl moiety in 4-position represent potent σ1 receptor antagonists. In order to increase the stability, a cyclohexane ring first replaced the acetalic 1, 3-dioxane ring of 1. A large set of aminoethyl substituted cyclohexane derivatives was prepared in a six-step synthesis. All enantiomers and diastereomers were separated by chiral HPLC at the stage of the primary alcohol 7, and their absolute configuration was determined by CD spectroscopy. Neither the relative nor the absolute configuration had a large impact on the σ1 affinity. The highest σ1 affinity was found for cis-configured benzylamines…

DU145 tumor cellsCachannelPrimary alcohol01 natural sciencesAminoethylcyclohexanes; Antagonistic activity; Biotransformation; Ca; 2+; influx assay; Calculated free energy of binding; CD spectroscopy; Chiral HPLC; DU145 tumor cells; Inhibition of human prostate tumor cell growth; Lipophilicity; Molecular dynamics simulations; Molecular interactions; per-residue binding free energy; Selectivity; Stereochemistry; Structure affinity relationships; Voltage gated Ca; 2+; channel; σ receptors; σ; 1; receptor affinityInhibition of human prostate tumor cell growthStereochemistryDrug DiscoveryMoietySelectivityBiotransformationσ receptor0303 health sciencesChemistryAminoethylcyclohexanesCD spectroscopyAbsolute configurationAminoethylcyclohexaneMolecular interactionGeneral MedicineAntagonistic activityper-residue binding free energyreceptor affinityLipophilicityVoltage gated CaStereochemistry12+Calculated free energy of bindingRetinal ganglion03 medical and health sciencesσMolecular dynamics simulationChiral HPLCLipophilicityMolecular interactionsStructure affinity relationship030304 developmental biologyPharmacologyDU145 tumor cellinflux assayMolecular dynamics simulations010405 organic chemistryOrganic ChemistryDiastereomer0104 chemical sciencesChiral column chromatographyσ receptorsStructure affinity relationshipsEnantiomerEuropean Journal of Medicinal Chemistry
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Anti-angiogenic drug loaded liposomes: Nanotherapy for early atherosclerotic lesions in mice.

2018

Este artículo se encuentra disponible en la página web de la revista en la siguiente URL: https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0190540 También participan en la elaboración de este artículo científico: Aracely Calatayud-Pascual, Alicia López-Castellano, Elena P. Albelda, Enrique García-España, Luis Martí-Bonmatí, Juan C. Frias y M. Teresa Albelda. Fumagillin-loaded liposomes were injected into ApoE-KO mice. The animals were divided into several groups to test the efficacy of this anti-angiogenic drug for early treatment of atherosclerotic lesions. Statistical analysis of the lesions revealed a decrease in the lesion size after 5 weeks of treatment.

Fluorescence-lifetime imaging microscopyPathologylcsh:MedicineAngiogenesis Inhibitors02 engineering and technology030204 cardiovascular system & hematologyVascular MedicineBiochemistryArteriosclerosis - Chemotherapy.Diagnostic RadiologyAteroesclerosis - Farmacoterapia.MiceWhite Blood Cells0302 clinical medicineAnimal CellsArteriosclerosis - Farmacoterapia.Medicine and Health SciencesArteries - Diseases - Treatment.Nanotechnologylcsh:ScienceAortaPhospholipidsmedia_commonMice KnockoutLiposomeDrug CarriersMultidisciplinarymedicine.diagnostic_testRadiology and Imaging021001 nanoscience & nanotechnologyMagnetic Resonance ImagingLipidsFatty Acids UnsaturatedEngineering and Technologymedicine.symptomCellular Structures and OrganellesCellular TypesAnatomy0210 nano-technologySesquiterpenesResearch ArticleDrugmedicine.medical_specialtyImaging Techniquesmedia_common.quotation_subjectImmune CellsImmunologyLiposomes.Research and Analysis MethodsLiposomas.Lesion03 medical and health sciencesText miningApolipoproteins ECyclohexanesDiagnostic Medicinemedicine.arteryFluorescence ImagingmedicineAnimalsArterias - Enfermedades - Tratamiento.VesiclesAortaBlood Cellsbusiness.industryMacrophageslcsh:RAnti angiogenicBiology and Life SciencesMagnetic resonance imagingCell BiologyAtherosclerosisFumagillin - Therapeutic use.Atherosclerosis - Chemotherapy.Disease Models AnimalFumagilina - Uso terapéutico.LiposomesCardiovascular AnatomyNanoparticlesBlood Vesselslcsh:QbusinessPloS one
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Guest exchange in dimeric capsules formed by tetra-urea calix[4]arenes

2008

Ten tetra-urea calix[4]arene derivatives with different ether residues (methyl, pentyl, benzyl, all combinations of methyl and pentyl, 1,3-dibenzyl-2,4-dipentyl), including also the tetrahydroxy compound and the 1,3-dipentyl ether, were synthesised. Their urea groups were substituted with a lipophilic residue to ensure sufficient solubility in cyclohexane. Thus, kinetics for the exchange of the included guest (benzene) against the solvent (cyclohexane) could be followed by 1H NMR spectroscopy. The apparent first order rate constants decrease with increasing size of the ether residues from methyl to benzyl by more than three orders of magnitude. This can be understood by a decreasing flexibi…

Magnetic Resonance SpectroscopyCyclohexaneEtherBiochemistryMedicinal chemistrychemistry.chemical_compoundPhenolsCyclohexanesCalixareneUreaMoleculeOrganic chemistryPhysical and Theoretical ChemistrySolubilityMolecular StructureHydrogen bondOrganic ChemistryBenzeneHydrogen BondingNuclear magnetic resonance spectroscopySolventKineticschemistryCalixarenesDimerizationEthersOrganic & Biomolecular Chemistry
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In vitro anti-inflammatory effects of AZD8999, a novel bifunctional muscarinic acetylcholine receptor antagonist /β2-adrenoceptor agonist (MABA) comp…

2019

Recent evidence indicates that AZD8999 (LAS190792), a novel muscarinic acetylcholine receptor antagonist and β2-adrenoceptor agonist (MABA) in development for chronic respiratory diseases, induces potent and sustained relaxant effects in human bronchi by adressing both muscarinic acetylcholine receptors and β2-adrenoceptor. However, the anti-inflammatory effects of the AZD8999 monotherapy or in combination with corticosteroids are unknown. This study investigates the anti-inflammatory effects of AZD8999 in monotherapy and combined with fluticasone propionate in neutrophils from healthy and chronic obstructive pulmonary disease (COPD) patients. Peripheral blood neutrophils from healthy and C…

MalePulmonologyNeutrophilsPhysiologyAnti-Inflammatory AgentsPharmacologyPathology and Laboratory MedicineBiochemistryPulmonary Disease Chronic ObstructiveWhite Blood CellsGlucocorticoid receptorAnimal CellsMuscarinic acetylcholine receptorMedicine and Health SciencesPost-Translational ModificationPhosphorylationReceptorImmune ResponseMultidisciplinaryPharmaceuticsQRDrug SynergismMiddle AgedReceptors MuscarinicHealthy VolunteersBody FluidsChemistryBloodPhysical SciencesQuinolinesMedicineDrug Therapy CombinationFemalemedicine.symptomCellular TypesAnatomymedicine.drugResearch ArticleSignal TransductionAgonistTransmembrane Receptorsmedicine.drug_classp38 mitogen-activated protein kinasesChronic Obstructive Pulmonary DiseaseImmune CellsScienceImmunologyInflammationMuscarinic AntagonistsThiophenesFluticasone propionateSigns and SymptomsDrug TherapyCyclohexanesDiagnostic MedicinemedicineHumansAdrenergic beta-2 Receptor AgonistsAgedInflammationBlood CellsDose-Response Relationship Drugbusiness.industryAntagonistChemical CompoundsBiology and Life SciencesProteinsCell BiologyAcetylcholine ReceptorsFluticasoneMuscarinic Acetylcholine ReceptorsReceptors Adrenergic beta-2PropionatesbusinessReceptor Antagonist TherapyPLoS ONE
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Tailoring the stealth properties of biocompatible polysaccharide nanocontainers.

2014

Fundamental development of a biocompatible and degradable nanocarrier platform based on hydroxyethyl starch (HES) is reported. HES is a derivative of starch and possesses both high biocompatibility and improved stability against enzymatic degradation; it is used to prepare nanocapsules via the polyaddition reaction at the interface of water nanodroplets dispersed in an organic miniemulsion. The synthesized hollow nanocapsules can be loaded with hydrophilic guests in its aqueous core, tuned in size, chemically functionalized in various pathways, and show high shelf life stability. The surface of the HES nanocapsules is further functionalized with poly(ethylene glycol) via different chemistri…

Materials scienceBiocompatibilityBiophysicsBioengineeringNanotechnologyBiocompatible MaterialsNanocapsulesPolyethylene GlycolsBiomaterialsHydroxyethyl Starch Derivativeschemistry.chemical_compoundNanocapsulesCyclohexanesPolysaccharidesPolymer chemistryMaterials TestingLeukocytesAnimalsHumansTissue DistributionDrug CarriersMice Inbred BALB CAqueous solutionWaterFlow CytometryMiniemulsionchemistryMechanics of MaterialsCeramics and CompositesPEGylationSurface modificationFemaleAdsorptionNanocarriersEthylene glycolHalf-LifeBiomaterials
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Influence of Remote Substituents on the Equatorial/Axial Selectivity in the Monooxygenation of Methylene C−H Bonds of Substituted Cyclohexanes

2001

The reactivity of individual C--H bonds in the methyl(trifluoromethyl)dioxirane TFDO oxygenation of stereogenic methylene groups in conformationally homogeneous monosubstituted cyclohexanes (2) has been determined. The unexpectedly high occurrence of O-atom insertion into C--H(ax) bonds suggests an in plane trajectory attack in the oxygenation while the diastereoselectivity of the reaction is qualitatively interpreted on the basis of the distinct hyperconjugative stabilization by the substituent of diastereomeric transition states due to long-range through bond interactions.

TrifluoromethylStereochemistrySubstituentGeneral ChemistryBiochemistryCatalysisTransition stateStereocenterchemistry.chemical_compoundColloid and Surface ChemistrychemistryDioxiraneCyclohexanesReactivity (chemistry)MethyleneJournal of the American Chemical Society
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