Search results for "1H"

showing 10 items of 1291 documents

NMR structure determination of (11E)-trinervita-1(14),2,11-triene, a new diterpene from sexual glands of termites

2005

Graphical Abstract Full-size image; International audience; Female alates of Nasutitermes ephratae termites from Guadeloupe and Nasutitermes sp. from Brazil produce a diterpene hydrocarbon of the molecular formula C20H30 as the main component of their tergal gland secretion. Analysis of NMR, IR, and mass spectra of the diterpene led to a structure of (11E)-trinervita-1(14),2,11-triene. Based on a comparison with the published oxygenated trinervitane skeleton from termites we prefer the enantiomer with absolute configurations (4R,7S,8R,15S,16S). The suggested structure is supported by ab initio quantum chemical calculation of 1H and 13C chemical shifts for the optimized geometry of the molec…

0106 biological sciencesStereochemistryAb initio1H and 13C010402 general chemistry01 natural sciencesBiochemistry1H-RMN; 13C-RMNTerpene03 medical and health scienceschemistry.chemical_compoundDrug Discovery[SDV.IDA]Life Sciences [q-bio]/Food engineeringNasutitermesOrganic chemistryMoleculeDITERPENE HYDROCARBONPHEROMONE[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process EngineeringGLANDE TERGALE FEMELLEDITERPENIQUE030304 developmental biologyFEMALE TERGAL GLANDchemistry.chemical_classification0303 health sciencesbiology010405 organic chemistryChemical shiftOrganic ChemistryTERMITEGeneral Medicinebiology.organism_classification0104 chemical sciences010602 entomologyHydrocarbonchemistryTRINERVITANEMass spectrumEnantiomerDiterpene
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Postnatal development of the dopaminergic signaling involved in the modulation of intestinal motility in mice

2015

Background:Since antidopaminergic drugs are pharmacological agents employed in the management of gastrointestinal motor disorders at all ages, we investigated whether the enteric dopaminergic system may undergo developmental changes after birth.Methods:Intestinal mechanical activity was examined in vitro as changes in isometric tension.Results:In 2-d-old (P2) mice, dopamine induced a contractile effect, decreasing in intensity with age, replaced, at the weaning (day 20), by a relaxant response. Both responses were tetrodotoxin (TTX)-insensitive. In P2, dopaminergic contraction was inhibited by D1-like receptor antagonist and mimicked by D1-like receptor agonist. In 90-d-old (P90) mice, the …

0301 basic medicineAgonistmedicine.medical_specialtyGastrointestinal Diseasesmedicine.drug_classDopamineTetrodotoxinBiologySettore BIO/09 - FisiologiaEnteric Nervous SystemMice03 medical and health sciences0302 clinical medicineDopamine receptor D3DopamineInternal medicineIntestine SmallCyclic AMPmedicineAnimalsEstrenesReceptorDopaminergicReceptor antagonistPyrrolidinonesMice Inbred C57BL030104 developmental biologyEndocrinologyAnimals NewbornDopamine receptorType C PhospholipasesDideoxyadenosinePediatrics Perinatology and Child Health2345-Tetrahydro-78-dihydroxy-1-phenyl-1H-3-benzazepineSignal transductionGastrointestinal Motility030217 neurology & neurosurgerySignal Transductionmedicine.drugPediatric Research
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Design, synthesis, and biological evaluation of a new class of benzo[b]furan derivatives as antiproliferative agents, with in silico predicted antitu…

2018

A new series of 3-benzoylamino-5-(1H-imidazol-4-yl)methylaminobenzo[b]furans were synthesized and screened as antitumor agents. As a general trend, tested compounds showed concentration-dependent antiproliferative activity against HeLa and MCF-7 cancer cell lines, exhibiting GI50 values in the low micromolar range. In most cases, insertion of a methyl substituent on the imidazole moiety improved the antiproliferative activity. Therefore, methyl-imidazolyl-benzo[b]furans compounds were tested in cell cycle perturbation experiments, producing cell cycle arrest with proapoptotic effects. Their core similarity to known colchicine binding site binders led us to further study the structure featur…

0301 basic medicineCell cycle checkpointinduced fit docking studieantitubulin agents01 natural sciencesBiochemistryHeLa and MCF-7 cell linesHeLachemistry.chemical_compoundTubulinFuranDrug DiscoveryImidazoleMoietybiologyHeLa and MCF-7 cell lineG2/M phaseTubulin ModulatorsMolecular Docking SimulationAntiproliferative AgentsMCF-7 CellsMolecular MedicineVLAK protocolantitubulin agentStereochemistryIn silicoSubstituent3-benzoylamino-5-(1H-imidazol-4-yl)methylaminobenzo[b]furansAntineoplastic Agentsinduced fit docking studiesantitumor agents03 medical and health sciencesHumanscolchicine binding siteBenzofuransCell ProliferationPharmacologyBinding Sites010405 organic chemistryOrganic ChemistryCell Cycle Checkpoints3-benzoylamino-5-(1H-imidazol-4-yl)methylaminobenzo[b]furanbiology.organism_classification0104 chemical sciencesProtein Structure Tertiary030104 developmental biologychemistryantitumor agentDrug DesignColchicineHeLa Cells
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Synthesis, antitumor activity and CDK1 inhibiton of new thiazole nortopsentin analogues

2017

A new series of thiazole nortopsentin analogues was conveniently synthesized with fair overall yields. The antiproliferative activity of the new derivatives was tested against different human tumor cell lines of the NCI full panel. Four of them showed good antitumor activity with GI(50) values from micro to nanomolar level. The mechanism of the antiproliferative effect of these derivatives, was pro-apoptotic, being associated with externalization of plasma membrane phosphatidylserine and DNA fragmentation. The most active and selective of the new thiazoles confined viable cells in G2/M phase and markedly inhibited in vitro CDK1 activity. (C) 2017 Elsevier Masson SAS.

0301 basic medicineIndolesCell SurvivalStereochemistryMolecular ConformationNortopsentin analogues3-b]pyridinesAntineoplastic AgentsApoptosisMarine alkaloids Nortopsentin analogues Antiproliferative activity Apoptosis CDK1 inhibitors Thiazolyl-1H-pyrrolo[23-b]pyridinesAntiproliferative activity01 natural sciencesStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundMarine alkaloidsCDC2 Protein KinaseDrug DiscoveryHumansThiazoleProtein Kinase InhibitorsCell ProliferationPharmacologyCyclin-dependent kinase 1Dose-Response Relationship DrugMarine alkaloids; Nortopsentin analogues; Antiproliferative activity; Apoptosis; CDK1 inhibitors; Thiazolyl-1H-pyrrolo[2; 3-b]pyridines010405 organic chemistryOrganic ChemistryImidazolesGeneral MedicinePhosphatidylserineThiazolyl-1H-pyrrolo[2Settore CHIM/08 - Chimica FarmaceuticaCyclin-Dependent KinasesIn vitro0104 chemical sciencesCDK1 inhibitors030104 developmental biologyMembranechemistryCell cultureApoptosisMCF-7 CellsDNA fragmentationCaco-2 CellsDrug Screening Assays Antitumor
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Pyrrolo[3',2':6,7]cyclohepta[1,2-b]pyridines with potent photo-antiproliferative activity.

2017

Abstract Pyrrolo[3′,2′:6,7]cyclohepta[1,2-b]pyridines were synthesized as a new class of tricyclic system in which the pyridine ring is annelated to a cycloheptapyrrole scaffold, with the aim of obtaining new photosensitizing agents with improved antiproliferative activity and lower undesired toxic effects. A versatile synthetic pathway was approached, which allowed the isolation of derivatives of the title ring system with a good substitution pattern on the pyrrole moiety. Photobiological studies revealed that the majority of the new compounds showed a potent cytotoxic effect upon photoactivation with light of the proper wavelength, especially when decorated with a 2-ethoxycabonyl group an…

0301 basic medicineLightPyridines01 natural sciencesAntioxidantschemistry.chemical_compound7]cyclohepta[1NeoplasmsDrug DiscoveryTumor Cells CulturedMoietyPyrrolechemistry.chemical_classificationPhotosensitizing AgentsGeneral MedicinePhotosensitizing AgentPyrrolo[3′2′:67]cyclohepta[12-b]pyridine-9(1H)-oneReactive oxygen speciemedicine.symptomPhototoxicity2-b]pyridine-9(1H)-onesStereochemistryBlotting WesternPhoto-antiproliferative activityAntineoplastic AgentsRing (chemistry)Phototoxicity03 medical and health sciencesStructure-Activity RelationshipPyridinemedicineHumansPyrrolo[3′PyrrolesCell ProliferationPharmacologyPhotosensitizing agent010405 organic chemistry2′:6Drug Discovery3003 Pharmaceutical ScienceOrganic ChemistryPhoto-antiproliferative activity; Photosensitizing agents; Phototoxicity; Pyrrolo[3′2′:67]cyclohepta[12-b]pyridine-9(1H)-ones; Reactive oxygen species; Pharmacology; Drug Discovery3003 Pharmaceutical Science; Organic ChemistryCombinatorial chemistry0104 chemical sciences030104 developmental biologychemistryMechanism of actionPhoto-antiproliferative activity; Photosensitizing agents; Phototoxicity; Pyrrolo[3′; 2′:6; 7]cyclohepta[1; 2-b]pyridine-9(1H)-ones; Reactive oxygen species; Pharmacology; Drug Discovery3003 Pharmaceutical Science; Organic ChemistryDrug Screening Assays AntitumorReactive Oxygen SpeciesTricyclicEuropean journal of medicinal chemistry
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Synthesis and biofilm formation reduction of pyrazole-4-carboxamide derivatives in some Staphylococcus aureus strains

2016

The ability of several N-phenyl-1H-pyrazole-4-carboxamide derivatives and other pyrazoles opportunely modified at the positions 3, 4 and 5, to reduce the formation of the biofilm in some Staphylococcus aureus strains (ATCC 29213, ATCC 25923 and ATCC 6538) were investigated. All the tested compounds were able, although to a different extent, to reduce the biofilm formation of the three bacterial strains considered. Among these, the 1-(2,5-dichlorophenyl)-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide 14 resulted as the best inhibitor of biofilm formation showing an IC50 ranging from 2.3 to 32 μM, against all the three strains of S. aureus. Compound 14 also shows a good protective effect in vivo…

0301 basic medicineStaphylococcus aureusmedicine.drug_class030106 microbiologyCarboxamideMothsN-phenyl-1H-pyrazole-4-carboxamidePyrazoleSettore BIO/19 - Microbiologia Generalemedicine.disease_cause01 natural sciencesMicrobiologyStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundDrug DiscoveryInhibition of biofilm formationmedicineAnimalsIC50PharmacologyWaxVirulencebiology010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceAnti-virulenceOrganic ChemistryBiofilmS. aureuGeneral MedicineStaphylococcal Infectionsbiology.organism_classificationSettore CHIM/08 - Chimica FarmaceuticaAnti-Bacterial Agents0104 chemical sciencesGalleria mellonellaHydrazinesSettore AGR/11 - Entomologia Generale E ApplicatachemistryStaphylococcus aureusBiofilmsLarvavisual_artWax moth larva modelvisual_art.visual_art_mediumPyrazolesLead compoundEuropean Journal of Medicinal Chemistry
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CCDC 901286: Experimental Crystal Structure Determination

2013

Related Article: Anna Zakrzewska, Erkki Kolehmainen, Arto Valkonen, Esa Haapaniemi, Kari Rissanen, Lilianna Chęcińska, and Borys Ośmiałowski|2013|J.Phys.Chem.A|117|252|doi:10.1021/jp311072q

11-Difluoro-3-(4-methylphenyl)-1H-11lambda^5^1lambda^5^-[132]oxazaborinino[34-a]quinolineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 244401: Experimental Crystal Structure Determination

2005

Related Article: C.M.Grunert, P.Weinberger, J.Schweifer, C.Hampel, A.F.Stassen, K.Mereiter, W.Linert|2005|J.Mol.Struct.|733|41|doi:10.1016/j.molstruc.2004.07.036

110-bis(1H-Tetrazolyl)decaneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 244402: Experimental Crystal Structure Determination

2005

Related Article: C.M.Grunert, P.Weinberger, J.Schweifer, C.Hampel, A.F.Stassen, K.Mereiter, W.Linert|2005|J.Mol.Struct.|733|41|doi:10.1016/j.molstruc.2004.07.036

112-bis(1H-Tetrazolyl)dodecaneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 195039: Experimental Crystal Structure Determination

2004

Related Article: V.A.Chebanov, S.M.Desenko, O.V.Shishkin, N.N.Kolos, S.A.Komykhov, V.D.Orlov, H.Meier|2003|J.Heterocycl.Chem.|40|25|doi:10.1002/jhet.5570400102

13-Dimethyl-68-diphenyl-2347-tetrahydro-1H-pyrimido(45-b)(14)-diazepine-24-dioneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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