Search results for "PYRIDINE"

showing 10 items of 2516 documents

Metabolic and inflammatory reprogramming of macrophages by ONC201 translates in a pro-inflammatory environment even in presence of glioblastoma cells

2020

Tumor-associated macrophages facilitate tumor progression and resistance to therapy. Their capacity for metabolic and inflammatory reprogramming represents an attractive therapeutic target. ONC201/TIC10 is an anticancer molecule that antagonizes the dopamine receptor D2 and affects mitochondria integrity in tumor cells. We examined whether ONC201 induces a metabolic and pro-inflammatory switch in primary human monocyte-derived macrophages that reactivates their antitumor activities, thus enhancing the onco-toxicity of ONC201. Contrary to glioblastoma cells, macrophages exhibited a low ratio of dopamine receptors D2/D5 gene expression and were resistant to ONC201 cytotoxicity. Macrophages re…

0301 basic medicinePyridinesImmunology610 MedizinGlutamic AcidAntineoplastic AgentsMitochondrionBiology570 Life sciences03 medical and health sciences0302 clinical medicineImmune systemCell Line TumorDopamine receptor D2610 Medical sciencesTumor MicroenvironmentHumansImmunology and AllergyMacrophageReceptors Dopamine D5Tumor microenvironmentReceptors Dopamine D2MacrophagesImidazolesMitochondriaCell biologyGene Expression Regulation NeoplasticPyrimidines030104 developmental biologyDrug Resistance NeoplasmTumor progressionDopamine receptorEnergy MetabolismGlioblastomaReprogrammingTranscription Factor CHOPSignal Transduction030215 immunology570 Biowissenschaften
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Reverse screening on indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent

2018

Indicaxanthin is a bioactive and bioavailable betalain pigment extracted from Opuntia ficus indica fruits. Indicaxanthin has pharmacokinetic proprieties, rarely found in other phytochemicals, and it has been demonstrated that it provides a broad-spectrum of pharmaceutical activity, exerting anti-proliferative, anti-inflammatory, and neuromodulator effects. The discovery of the Indicaxanthin physiological targets plays an important role in understanding the biochemical mechanism. In this study, combined reverse pharmacophore mapping, reverse docking, and text-based database search identified Inositol Trisphosphate 3-Kinase (ITP3K-A), Glutamate carboxypeptidase II (GCPII), Leukotriene-A4 hydr…

0301 basic medicineStatistics and ProbabilityMolecular dynamicPyridinesKainate receptorIndicaxanthinPhytochemical01 natural sciencesGeneral Biochemistry Genetics and Molecular BiologyDocking03 medical and health scienceschemistry.chemical_compoundNeoplasmsGlutamate carboxypeptidase IIData MiningHumansEnzyme InhibitorsMM-GBSAPharmacophore modelingBinding SitesGeneral Immunology and MicrobiologyReverse screening010405 organic chemistryAnti-cancerApplied MathematicsPhosphodiesteraseOpuntiaPhosphoserine phosphataseInositol trisphosphateGeneral MedicineAntineoplastic Agents Phytogenic0104 chemical sciencesBetaxanthinsNeoplasm ProteinsNeuromodulatorMolecular Docking SimulationAnti-inflammatory agent030104 developmental biologychemistryBiochemistryDocking (molecular)Modeling and SimulationPharmacophoreGeneral Agricultural and Biological SciencesIndicaxanthin
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Diastereoselectivity of 5-Methyluridine Osmylation Is Inverted inside an RNA Chain

2016

In this study, we investigated the reaction of the osmium tetroxide-bipyridine complex with pyrimidines in RNA. This reagent, which reacts with the diastereotopic 5-6 double bond, thus leading to the formation of two diastereomers, was used in the past to label thymidine and 5-methylcytosine in DNA. In light of the growing interest in post-transcriptional RNA modifications, we addressed the question of whether this reagent could be used for labeling of the naturally occurring RNA modifications 5-methylcytosine and 5-methyluridine. On nucleoside level, 5-methylcytosine and 5-methyluridine revealed a 5- and 12-fold preference, respectively, over their nonmethylated equivalents. Performing the…

0301 basic medicineSteric effectsDouble bondPyridinesStereochemistryBiomedical EngineeringPharmaceutical ScienceBioengineering010402 general chemistry01 natural sciences03 medical and health scienceschemistry.chemical_compoundOrganometallic CompoundsUridinePharmacologychemistry.chemical_classificationOrganic ChemistryRNAStereoisomerism0104 chemical sciencesPyrimidines030104 developmental biologychemistryReagentRNA5-MethyluridineThymidineNucleosideDNABiotechnologyBioconjugate Chemistry
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A possible desensitized state conformation of the human α7 nicotinic receptor: A molecular dynamics study

2017

International audience; The determination of the conformational states corresponding to diverse functional roles of ligand gated ion channels is subject of intense investigation with various techniques, from X-rays structure determination to electrophysiology and computational modeling. Even with a certain number of structures becoming recently available, only few major structural features distinguishing conductive open channel from the non conductive resting protein have been highlighted, while high-resolution details are still missing. The characterization of the desensitized conformation(s) is even more complex, and only few specific characteristics have been identified. Furthermore, exp…

0301 basic medicinealpha7 Nicotinic Acetylcholine ReceptorStereochemistryPyridinesBiophysicsMolecular Dynamics SimulationBiochemistry03 medical and health sciencesMolecular dynamicsmedicineHumansHomology modelingnicotinic receptor epibatidine molecular dynamics inactive stateIon channel[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]ChemistryProtein StabilityOrganic ChemistryHydrogen BondingBridged Bicyclo Compounds HeterocyclicSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)Protein Structure Tertiary[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry Molecular Biology/BiophysicsElectrophysiology030104 developmental biologyNicotinic agonistα7 nicotinic receptorEpibatidineLigand-gated ion channel[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM]medicine.drug
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Health-Relevant Phenotypes in the Offspring of Mice Given CAR Activators Prior to Pregnancy

2018

Hepatic induction in response to drugs and environmental chemicals affects drug therapies and energy metabolism. We investigated whether the induction is transmitted to the offspring. We injected 3-day- and 6-week-old F0 female mice with TCPOBOP, an activator of the nuclear receptor constitutive androstane receptor (CAR, NR1I3), and mated them 1-6 weeks afterward. We detected in the offspring long-lasting alterations of CAR-mediated drug disposition, energy metabolism, and lipid profile. The transmission to the first filial generation (F1) was mediated by TCPOBOP transfer from the F0 adipose tissue via milk, as revealed by embryo transfer, crossfostering experiments, and liquid chromatograp…

0301 basic medicinemedicine.medical_specialtyPyridinesOffspringDevelopmental toxicityReceptors Cytoplasmic and NuclearPharmaceutical ScienceAdipose tissueBiologyMice03 medical and health sciencesPregnancyInternal medicineConstitutive androstane receptormedicineAnimalsReceptorConstitutive Androstane ReceptorPharmacologyPregnancymedicine.diseaseEmbryo transferMice Inbred C57BLPhenotype030104 developmental biologyEndocrinologyAdipose TissueLiverNuclear receptorFemaleDrug Metabolism and Disposition
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1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one

2016

In the title compound, C20H10Cl3N5O, the 13-membered ring system makes dihedral angles of 78.64 (9)° with the trichlorophenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π interactions between the 13-membered ring systems [centroid–centroid distance = 3.6655 (11)°].

0301 basic medicinepyridinecrystal structure246-trichlorophenylStereochemistryCentroidGeneral MedicineCrystal structureDihedral angleRing (chemistry)124-triazinoneCrystalbenzoimidazole03 medical and health sciencesCrystallographychemistry.chemical_compound030104 developmental biology0302 clinical medicinechemistry030220 oncology & carcinogenesisPyridinelcsh:QD901-999lcsh:CrystallographyIUCrData
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CCDC 2105110: Experimental Crystal Structure Determination

2021

Related Article: Eric Kramer, Shilin Yu, Jas S. Ward, Kari Rissanen|2021|Dalton Trans.|50|14990|doi:10.1039/D1DT03324G

11'-[13-phenylenebis(carbonyloxy-lambda3-iodanediyl)]bis(4-ethyl-1lambda5-pyridine)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 915397: Experimental Crystal Structure Determination

2013

Related Article: M.Saccone,G.Cavallo,P.Metrangolo,A.Pace,I.Pibiri,T.Pilati,G.Resnati,G.Terraneo|2013|CrystEngComm|15|3102|doi:10.1039/C3CE40268A

112233445566-Dodecafluoro-16-diiodohexane 44'-(124-oxadiazole-35-diyl)dipyridineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 676992: Experimental Crystal Structure Determination

2008

Related Article: I.Goba, B.Turovska, J.Stradins, I.Turovskis, E.Liepinsh, S.Belyakov|2007|Khim.Get.Soedin.,SSSR||226|

126-Trimethyl-4-isopropyl-345-trimethoxycarbonyl-14-dihydropyridineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Partition of Indicaxanthin in Membrane Biomimetic Systems. A Kinetic and Modeling Approach

2009

The solubilization site of indicaxanthin (Ind) in lipid bilayers was investigated by the kinetics of Ind oxidation by peroxyl radicals in water and in aqueous/L-alpha-dipalmitoyl-phosphatidylcholine (DPPC) vesicles, pH 7.4, and 37.0 and 48.0 degrees C, that is, in a gel-like and a crystal liquidlike bilayer state, respectively. The time-dependent Ind absorbance decay, matched with a successful simulation of the reaction kinetic mechanism by Gepasi software, supported a multistep pathway. Computer-assisted analysis allowed calculation of the rate constants associated with the reactions involved, the values of which decreased with increasing DPPC concentration. The binding constant calculated…

12-DipalmitoylphosphatidylcholinePyridinesLipid BilayersBetalain pigmentchemistry.chemical_compoundReaction rate constantGepasi simulation.biomimetic membraneLipid bilayervesiclephospholipidAqueous solutionChromatographyVesicleBilayerAqueous two-phase systemWaterGeneral ChemistryBinding constantBetaxanthinsPeroxidesKineticschemistryLiposomesPhysical chemistryDPPCGeneral Agricultural and Biological SciencesOxidation-ReductionIndicaxanthinSoftware
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