Search results for "Molecular Structure"

showing 10 items of 1246 documents

Regioselective substitution of 6,7-dichloroquinoline-5,8-dione: synthesis and X-ray crystal structure of 4a,10,11-triazabenzo[3,2-a]fluorene-5,6-dion…

2003

6,7-Dichloroquinoline-5,8-dione (1) was reacted with a number of 2-aminopyridine derivatives. Of the several possible products of this reaction, 4a,10,11-triazabenzo[3,2-a]fluorene-5,6-dione (6), produced by condensation and rearrangement, was obtained as the major product, and its structure was subsequently unambigously determined by X-ray crystallographic study. Ortho-quinones were produced via nucleophilic substitution at position C7, which was unexpected, considering that para-quinones were produced via C6 substitution in the reaction between compound 1 and ethyl acetoacetate in our previous work. Such unexpected nucleophilic substitution at C7 provides an effective, yet simple route, t…

StereochemistryClinical BiochemistryPharmaceutical ScienceAntineoplastic AgentsCrystallography X-RayBiochemistryMedicinal chemistryChemical synthesisInhibitory Concentration 50chemistry.chemical_compoundNucleophilic aromatic substitutionDrug DiscoveryTumor Cells CulturedNucleophilic substitutionHumansMolecular BiologySubstitution reactionFluorenesMolecular StructureOrganic ChemistryQuinonesRegioselectivityStereoisomerismQuinonechemistryDoxorubicinEthyl acetoacetateQuinolinesMolecular MedicineAcid hydrolysisDrug Screening Assays AntitumorBioorganic & Medicinal Chemistry
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Synthesis of benzopyran derivatives as PPARα and/ or PPARγ activators

2019

International audience; We describe the synthesis of 26 compounds, small polycerasoidol analogs, that are Lipinski’s rule-of-five compliant. In order to confirm key structural features to activate PPARα and/or PPARγ, we have adopted structural modifications in the following parts: (i) the benzopyran core (hydrophobic nucleus) by benzopyran-4-one, dihydrobenzopyran or benzopyran-4-ol; (ii) the side chain at 2-position by shortening to C3, C4 and C5-carbons versus C-9-carbons of polycerasoidol; (iii) the carboxylic group (polar head) by oxygenated groups (hydroxyl, acetoxy, epoxide, ester, aldehyde) or non-oxygenated motifs (allyl and alkyl). Benzopyran-4-ones 6, 12, 13 and 17 as well as dihy…

StereochemistryClinical BiochemistryPharmaceutical ScienceEpoxide01 natural sciencesBiochemistryAldehydechemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoverySide chainMolecule[CHIM]Chemical SciencesBenzopyransPPAR alphaMolecular BiologyAlkylchemistry.chemical_classificationMolecular Structure010405 organic chemistryChemistryOrganic Chemistry3. Good health0104 chemical sciencesBenzopyranPPAR gamma010404 medicinal & biomolecular chemistryDocking (molecular)Molecular MedicineLinker
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The introduction of fluorine atoms or trifluoromethyl groups in short cationic peptides enhances their antimicrobial activity

2006

The effect of introducing fluorine atoms or trifluoromethyl groups in either the peptidic chain or the C-terminal end of cationic pentapeptides is reported. Three series of amide and ester peptides were synthesised and their antimicrobial properties evaluated. An enhanced activity was found in those derivatives whose structure contained fluorine, suggesting an increase in their hydrophobicity.

StereochemistryClinical BiochemistryPharmaceutical Sciencechemistry.chemical_elementPeptideMicrobial Sensitivity TestsBiochemistryChemical synthesisMedicinal chemistryStructure-Activity Relationshipchemistry.chemical_compoundCationsAmideBenzyl CompoundsDrug DiscoveryHumansMolecular Biologychemistry.chemical_classificationTrifluoromethylMolecular StructureOrganic ChemistryCationic polymerizationStereoisomerismBiological activityFluorineAnti-Bacterial AgentsEukaryotic CellschemistryDrug DesignLipophilicityFluorineMolecular MedicineHydrophobic and Hydrophilic InteractionsOligopeptidesBioorganic & Medicinal Chemistry
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Synthesis and cytotoxicity of 6,11-Dihydro-pyrido- and 6,11-Dihydro-benzo[2,3-b]phenazine-6,11-dione derivatives

2003

6,11-Dihydro-pyrido[2,3-b]phenazine-6,11-diones and 6,11-dihydro-benzo[2,3-b]phenazine-6,11-diones were synthesized from 6,7-dichloro-5,8-quinolinedione and 2,3-dichloro-1,4-naphthoquinone. The study on the cytotoxicity on these products revealed that the pyridophenazinediones, tetracyclic heteroquinone analogues with three nitrogen atoms exhibited a high cytotoxicity on several human tumor cell lines. Compound 9c and 9e showed in vitro antitumor activity comparable or superior to doxorubicin against the human ovarian tumor cells (SK-OV-3) and the human CNS cells (XF 498). The IC(50) value for compound 9e was 0.06 microM against the human CNS cells (XF 498), which was 2.6 times higher than …

StereochemistryClinical BiochemistryPhenazinePharmaceutical ScienceAntineoplastic AgentsCrystallography X-RayBiochemistryChemical synthesisInhibitory Concentration 50Structure-Activity Relationshipchemistry.chemical_compoundDrug DiscoveryTumor Cells CulturedNucleophilic substitutionHumansStructure–activity relationshipCytotoxicityMolecular BiologyMolecular StructureOrganic ChemistryIn vitroQuinonechemistryDoxorubicinCell cultureQuinolinesPhenazinesMolecular MedicineDrug Screening Assays AntitumorNaphthoquinonesBioorganic & Medicinal Chemistry
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Synthesis of new melatoninergic hexahydroindenopyridines

2014

Hexahydroindenopyridine (HHIP) is an interesting heterocyclic framework that contains an indene core similar to ramelteon. This type of tricyclic piperidines aroused our interest as potential melatoninergic ligands. Melatonin receptor ligands have applications in insomnia and depression. We report herein an efficient two-step method to prepare new HHIP by the reaction of an enamine with 3-bromopropylamine hydrobromide. Some synthesized compounds showed moderate affinity for melatonin receptors in the nanomolar or low micromolar range. Furthermore, the methylenedioxy HHIPs 2d (N-phenylacetamide) and 2f (N,N-diethylacetamide), exhibited high selectivity at MT1 or MT2 receptors, respectively, …

StereochemistryClinical BiochemistryRamelteonPharmaceutical ScienceLigandsHeterocyclic Compounds 4 or More RingsBiochemistryMelatonin receptorMethylenedioxyEnamineMelatoninStructure-Activity Relationshipchemistry.chemical_compoundDrug DiscoverymedicineHumansIndeneMolecular Biologychemistry.chemical_classificationDose-Response Relationship DrugMolecular StructureReceptor Melatonin MT2HydrobromideReceptor Melatonin MT1Organic ChemistryHEK293 CellschemistryMolecular MedicineTricyclicmedicine.drugBioorganic & Medicinal Chemistry Letters
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Gamma-lactone-Functionalized antitumoral acetogenins are the most potent inhibitors of mitochondrial complex I.

2001

To study the relevance of the terminal alpha,beta-unsaturated gamma-methyl-gamma-lactone moiety of the antitumoral acetogenins of Annonaceae for potent mitochondrial complex I inhibition, we have prepared a series of semisynthetic acetogenins with modifications only in this part of the molecule, from the natural rolliniastatin-1 (1) and cherimolin-1 (2). Some of the hydroxylated derivatives (1b, 1d and 1e) in addition to two infrequent natural beta-hydroxy gamma-methyl gamma-lactone acetogenins, laherradurin (3) and itrabin (4), are more potent complex I inhibitors than any other known compounds.

StereochemistryClinical BiochemistrySubmitochondrial ParticlesPharmaceutical ScienceAntineoplastic AgentsMitochondrionBiochemistryMitochondria HeartLactonesMagnoliopsidaMultienzyme ComplexesDrug DiscoveryMoietyAnimalsNADH NADPH OxidoreductasesFuransMolecular Biologychemistry.chemical_classificationElectron Transport Complex IbiologyMolecular StructureOrganic ChemistryBiological activitybiology.organism_classificationIn vitroEnzymechemistryEnzyme inhibitorAnnonaceaebiology.proteinMolecular MedicineCattleLactoneBioorganicmedicinal chemistry letters
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Oxidative nuclease activity of ferromagnetically coupled μ-hydroxo-μ-propionato copper(II) complexes [Cu3(L)2(μ-OH)2(μ-propionato)2] (L=N-(pyrid-2-yl…

2008

Three doubly-bridged, trinuclear copper(II) compounds with hydroxo and carboxylato bridges, ∞ 1 [Cu 3 (L1) 2 (μ-OH) 2 (μ-propionato) 2 ] ∞ 1 [ Cu 3 ( L 1 ) 2 ( μ - OH ) 2 ( μ - propionato ) 2 ] (1) , [Cu 3 (L2) 2 (μ-OH) 2 (μ-propionato) 2 (DMF) 2 ] (2) and ∞ 1 {[Cu 3 (L3) 2 (μ-OH) 2 (μ-propionato) 2 ]} ∞ 1 { [ Cu 3 ( L 3 ) 2 ( μ - OH ) 2 ( μ - propionato ) 2 ] } [Cu 3 (L3) 2 (μ-OH) 2 (μ-propionato) 2 (DMF) 2 ]} (3) [HL1 =  N -(pyrid-2-ylmethyl)benzenesulfonylamide, HL2 =  N -(pyrid-2-ylmethyl)toluenesulfonylamide, HL3 =  N -(pyrid-2-ylmethyl)naphthalenesulfonylamide], have been synthesized and characterized. 1 is built from [Cu 3 (L1) 2 (μ-OH) 2 (μ-propionato) 2 ] clusters. Each unit contai…

StereochemistryCoordination polymerKineticschemistry.chemical_elementNaphthalenesCrystallography X-RayCleavage (embryo)Ferric CompoundsBiochemistryInorganic Chemistrychemistry.chemical_compoundOrganometallic CompoundsDNA CleavageBenzeneDeoxyribonucleasesMolecular StructureBenzeneDNACopperTolueneMagnetic susceptibilityKineticsCrystallographychemistryDrug DesignCyclic voltammetryOxidation-ReductionCopperTolueneJournal of Inorganic Biochemistry
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Kinetic properties of hexameric tyrosinase from the crustacean Palinurus elephas.

2008

Tyrosinases catalyze hydroxylation of monophenols to o-diphenols and their subsequent oxidation to o-quinones, whereas catecholoxidases catalyze only the latter reaction. Both enzymes occur in all organisms and are Type 3 copper proteins that perform the first steps of melanin formation. In arthropods, they play an essential role in the sclerotization of the exoskeleton. Very few phenoloxidases are characterized structurally or kinetically and the existence of an actual tyrosinase activity has not been demonstrated in most cases. Here we present for the first time a complete kinetic characterization of a tyrosinase from a crustacean (Palinurus elephas) including the influence of inhibitors.…

StereochemistryCopper proteinTyrosinaseDopamineAllosteric regulationTyramineCooperativityBiologyBiochemistryBinding CompetitiveHydroxylationchemistry.chemical_compoundNon-competitive inhibitionAnimalsMimosinePhysical and Theoretical ChemistryEnzyme InhibitorsPalinuridaechemistry.chemical_classificationBinding SitesMolecular StructureMonophenol MonooxygenaseGeneral MedicinePhenylthioureaKineticsEnzymechemistryBiochemistryMimosineAllosteric SitePhotochemistry and photobiology
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Crystal structure of [Cu(N-quinolin-8-yl-p-toluenesulfonamidate)2]: study of its interaction with DNA and hydrogen peroxide

2001

A new copper complex with N-quinolin-8-yl-p-toulenesulfonamide has been prepared and characterised. The compound crystallises in the triclinic system, space group P1, with a=13.457(3), b=15.067(5), c=18.589(3) A; α=112.05(2), β=93.92(2), γ=108.30(2)° and Z=4. The geometry of the Cu(II) ion is distorted square planar. The N-quinolin-8-yl-p-toulenesulfonamidate anion behaves as a bidentate ligand through the N s u l f o n a m i d a t e and N q u i n o l i n e atoms. The complex does not cleave DNA in the presence of hydrogen peroxide.

StereochemistryCrystal structureTriclinic crystal systemCrystallography X-RayBiochemistryIonInorganic Chemistrychemistry.chemical_compoundCleaveOrganometallic CompoundsHydrogen peroxidechemistry.chemical_classificationSulfonamidesCopper complexDose-Response Relationship DrugMolecular StructureHydrolysisSpectrum AnalysisDNAHydrogen PeroxideSulfonamideCrystallographychemistryQuinolinesCopperDNADNA DamagePlasmidsJournal of Inorganic Biochemistry
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Cytotoxic activity of diterpenoids isolated from the aerial parts of Elaeoselinum asclepium subsp. meoides.

2008

The phytochemical investigation of the acetone extract of the aerial parts of Elaeoselinum asclepium (L.) Bertol. subsp. meoides (Desf.) Fiori afforded several known diterpenoids as well as meoidic acid ( 5), new in the literature. The cytotoxic activities of elasclepic acid ( 1), ENT-atis-16-en-19-oic acid ( 2), ent-beyer-15-en-19-oic acid ( 3), ent-kaur-16-en-19-oic acid ( 4) and meoidic acid ( 5) were investigated on rat glioma C6 cells by evaluation of cell growth inhibition.

StereochemistryElaeoselinum asclepium subsp. meoides Umbelliferae diterpenoids meoidic acid cytotoxic activityPharmaceutical ScienceBiologyPharmacognosyAnalytical Chemistrychemistry.chemical_compoundCell Line TumorDrug Discoveryotorhinolaryngologic diseasesAcetoneCytotoxic T cellAnimalsCytotoxicityCell ProliferationPharmacologyMolecular StructureOrganic ChemistrySettore CHIM/06 - Chimica OrganicaElaeoselinum asclepium subsp. meoidesAntineoplastic Agents PhytogenicTerpenoidRatsComplementary and alternative medicinechemistryPhytochemicalMolecular MedicineDiterpeneDiterpenesApiaceaePlanta medica
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