Search results for "amides"

showing 10 items of 552 documents

Stochastic dynamics of leukemic cells under an intermittent targeted therapy

2009

The evolutionary dynamics of cancerous cell populations in a model of Chronic Myeloid Leukemia (CML) is investigated in the presence of an intermittent targeted therapy. Cancer development and progression is modeled by simulating the stochastic evolution of initially healthy cells which can experience genetic mutations and modify their reproductive behavior, becoming leukemic clones. Front line therapy for the treatment of patients affected by CML is based on the administration of tyrosine kinase inhibitors, namely imatinib (Gleevec) or, more recently, dasatinib or nilotinib. Despite the fact that they represent the first example of a successful molecular targeted therapy, the development o…

Statistics and ProbabilityComplex systemsmedicine.medical_treatmentModels BiologicalPiperazinesSettore FIS/03 - Fisica Della MateriaCancer evolutionTargeted therapyLeukemia Myelogenous Chronic BCR-ABL Positivehemic and lymphatic diseasesStochastic dynamics; Cancer evolution; Complex systemsHumansMedicineComputer SimulationStochastic dynamicMolecular Targeted TherapyProtein Kinase InhibitorsEcology Evolution Behavior and SystematicsStochastic Processesbusiness.industryApplied MathematicsMyeloid leukemiaImatinibmedicine.diseaseSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)DasatinibLeukemiaPyrimidinesImatinib mesylateNilotinibStochastic dynamics Monte Carlo simulationBenzamidesImmunologyCancer cellDisease ProgressionImatinib MesylateCancer researchbusinessmedicine.drug
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In vivo and in vitro anti-leishmanial activities of 4-nitro-N-pyrimidin- and N-pyrazin-2-ylbenzenesulfonamides, and N2-(4-nitrophenyl)-N1-propylglyci…

2009

A series of compounds containing the nitrobenzene and sulfonamido moieties were synthesized and their leishmanicidal effect was assessed in vitro against Leishmania infantum promastigotes. Among the compounds evaluated, the p-nitrobenzenesulfonamides 4Aa and 4Ba, and the p-nitroaniline 5 showed significant activity with a good selectivity index. In a Balb/c mice model of L. Infantum, administration of compounds 4Aa, 4Ba or 5 (5 mg/kg/day for 10 days, injected ip route) led to a clear-cut parasite burden reduction (ca. 99%). In an attempt to elucidate their mechanism of action, the DNA interaction of 4Aa and 5 was investigated by means of viscosity studies, thermal denaturation and nuclease …

StereochemistryClinical BiochemistryNitro compoundGlycinePharmaceutical ScienceBiochemistryChemical synthesisMiceIn vivoDrug DiscoverymedicineAnimalsMolecular BiologyLeishmaniasischemistry.chemical_classificationNucleaseMice Inbred BALB CSulfonamidesAniline CompoundsbiologyOrganic Chemistrybiology.organism_classificationTrypanocidal AgentsIn vitroPyrimidineschemistryMechanism of actionBiochemistrybiology.proteinNitroMolecular MedicineLeishmania infantummedicine.symptomBioorganicmedicinal chemistry
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In vitro affinities of various halogenated benzamide derivatives as potential radioligands for non-invasive quantification of D(2)-like dopamine rece…

2007

Abstract Benzamide derivatives as radiotracers have played an important role in diagnosing malfunction in dopaminergic neurotransmission. A variety of halogenated and two unsubstituted benzamide derivatives were synthesised and their in vitro affinities to dopaminergic, serotonergic and adrenergic receptors and their lipophilicities were determined. As references IBZM (3), raclopride (4) and FLB457 (5) were tested as well. The two iodinated compounds NAE (27) and NADE (28) displayed Ki values of 0.68 and 14 nM for the D2 receptor. The well-established radiotracers FP (1) and DMFP (2) showed affinities in the same range as did the brominated compounds NABrE (29) and NABrDE (30). The log D7.4…

StereochemistryClinical BiochemistryPharmaceutical ScienceBiochemistryCell Linechemistry.chemical_compoundRadioligand AssayStructure-Activity RelationshipDopamine receptor D2Iodine IsotopesDrug DiscoverymedicineAnimalsBenzamideMolecular BiologyRacloprideReceptors Dopamine D2Organic ChemistryDopaminergicLigand (biochemistry)AffinitieschemistryDopamine receptorLipophilicityBenzamidesMolecular Medicinemedicine.drugBioorganicmedicinal chemistry
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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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A Hydrogen-Bonded Supramolecular meso-Helix

2003

[EN] A new one-dimensional hydrogen-bonded polymer with a unique meso-helical structure has been prepared from the spontaneous self-assembly in the solid-state of meta-substituted phenylene dioxamic acid diethyl ester monomers. The helical nature of this molecule and its self-complementary character, through intermolecular hydrogen bonding between oxamic acid ester functions, are the two main factors responsible for the crystalline aggregation process, as confirmed by both experimental X-ray crystallographic data and theoretical ab initio calculations.

StereochemistryHydrogen bondOrganic ChemistrySupramolecular chemistryCrystal engineeringCrystal engineeringAmidesHydrogen bondschemistry.chemical_compoundCrystallographyDensity functional calculationsMonomerchemistryAb initio quantum chemistry methodsPhenyleneFISICA APLICADAHelixMoleculePhysical and Theoretical ChemistryHelical structures
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Synthesis and preliminary antibacterial evaluation of Linezolid-like 1,2,4-oxadiazole derivatives

2012

In the present study the synthesis of new Linezolid-like molecules has been achieved by substitution of the oxazolidinone central heterocyclic moiety with a 1,2,4-oxadiazole ring. Two series of 1,2,4-oxadiazoles, bearing different side-chains and containing a varying number of fluorine atoms, were synthesized and preliminarily tested for biological activity against some Gram-positive and Gram-negative bacteria using Linezolid and Ceftriaxone as reference drugs

StereochemistryOxadiazoleMicrobial Sensitivity TestsAntimicrobial activityRing (chemistry)Oxazolidinone 124-Oxadiazole Linezolid Antimicrobial activity Fluorinated heterocyclesStructure-Activity Relationshipchemistry.chemical_compoundFluorinated heterocyclesAcetamidesDrug DiscoveryMoleculeMoiety124-OxadiazoleOxazolidinonesPharmacologyBacteriaMolecular StructureCeftriaxoneOrganic ChemistryLinezolidBiological activitySettore CHIM/06 - Chimica OrganicaGeneral MedicineSettore CHIM/08 - Chimica FarmaceuticaOxazolidinoneAnti-Bacterial AgentschemistryMED/07 - MICROBIOLOGIA E MICROBIOLOGIA CLINICALinezolid
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DNA interaction of new copper(II) complexes with sulfonamides as ligands

2007

New copper(II) complexes with sulfonamide ligands have been prepared and characterized. Sulfonamide ligands were prepared through a reaction between 8-aminoquinoline and either 2-mesitylene (Hqmesa), 4-tert-butylbenzene (Hqtbsa), or alpha-toluene (Halphaqtsa) sulfonyl chlorides. The structural analysis carried out for complex [Cu(alphaqtsa)(2)] indicated that the local environment of the Cu(II) cation is between a square planar and a tetrahedral geometry, with stacking of the benzene rings of the sulfonyl ligands between neighbor molecules. Powder EPR spectra at room temperature gave rhombic spectra for the [Cu(alphaqtsa)(2)] and [Cu(qmesa)(2)] complexes and an axial spectrum for the [Cu(qt…

Steric effectsMolecular Conformationchemistry.chemical_elementAscorbic AcidCrystallography X-RayPhotochemistryBiochemistryMedicinal chemistrylaw.inventionInorganic ChemistrylawOrganometallic CompoundsMoleculeSinglet stateElectron paramagnetic resonancechemistry.chemical_classificationSulfonylSulfonamidesMolecular StructureTetrahedral molecular geometryDNACopperIntercalating AgentsSulfonamidechemistryReactive Oxygen SpeciesCopperPlasmidsJournal of Inorganic Biochemistry
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Reactive Surface Coatings Based on Polysilsesquioxanes: Controlled Functionalization for Specific Protein Immobilization

2009

The key designing in reliable biosensors is the preparation of thin films in which biomolecular functions may be immobilized and addressed in a controlled and reproducible manner. This requires the controlled preparation of specific binding sites on planar surfaces. Poly(methylsilsesquioxane)-poly(pentafluorophenyl acrylates) (PMSSQ-PFPA) are promising materials to produce stable and adherent thin reactive coatings on various substrates. Those reactive surface coatings could be applied onto various materials, for example, gold, polycarbonate (PC), poly(tetrafluoroethylene) (PTFE), and glass. By dipping those substrates in a solution of a desired amine, specific binding sites for protein ads…

StreptavidinMaterials sciencePolymersSurface PropertiesBiotinInfrared spectroscopyMicroscopy Atomic Forcechemistry.chemical_compoundAdsorptionSpectroscopy Fourier Transform InfraredElectrochemistryOrganic chemistryBiotinylationOrganosilicon CompoundsGeneral Materials ScienceFourier transform infrared spectroscopySurface plasmon resonanceFuransPolytetrafluoroethyleneSpectroscopyPolycarboxylate CementTemperaturetechnology industry and agricultureProteinsSurfaces and InterfacesCondensed Matter PhysicsAmidesQuaternary Ammonium CompoundsModels ChemicalchemistryChemical engineeringSurface modificationGlassBiosensorProtein adsorptionLangmuir
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Updating chromatographic predictions by accounting ageing for single and tandem columns.

2018

The most efficient optimization methodologies in liquid chromatography are based on the modeling and prediction of the chromatographic behavior for each compound in the sample. However, when the column suffers some ageing after the modeling process, predictions may differ significantly from the actual separation. Repeating the modeling is especially troublesome when several columns are involved, as is the case of coupled columns. We propose a shortcut to correct the time and peak profiles in these situations, after evaluating the effects of ageing. The original models are corrected by introducing parameters accounting for column ageing, obtained using the data of a small subset of compounds…

SulfonamidesChromatographyMaterials scienceTime FactorsTandembusiness.industry010401 analytical chemistryExperimental dataChromatography liquidFiltration and SeparationAccounting010402 general chemistry01 natural sciencesColumn (database)0104 chemical sciencesAnalytical ChemistryGradient elutionbusinessChromatography LiquidJournal of separation science
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1H NMR and UV-vis spectroscopic characterization of sulfonamide complexes of nickek(II)-carbonic anhydrase. Resonance assignments based on NOE effects

1992

The binding of acetazolamide, p-fluorobenzensulfonamide, p-toluenesulfonamide, and sulfanilamide to nickel(II)-substituted carbonic anhydrase II has been studied by 1H NMR and electronic absorption spectroscopies. These inhibitors bind to the metal ion forming 1:1 complexes and their affinity constants were determined. The 1H NMR spectra of the formed complexes show a number of isotropically shifted signals corresponding to the histidine ligands. The complexes with benzene-sulfonamides gave rise to very similar 1H NMR spectra. The NMR data suggest that these aromatic sulfonamides bind to the metal ion altering its coordination sphere. In addition, from the temperature dependence of 1H NMR s…

SulfonamidesConformational changeMagnetic Resonance SpectroscopyCoordination sphereProtein ConformationCarbon-13 NMR satelliteChemistryStereochemistryCarbonic anhydrase IINuclear magnetic resonance spectroscopy of nucleic acidsNuclear magnetic resonance spectroscopyBiochemistryAdductAcetazolamideInorganic ChemistryCrystallographyNickelSpectrophotometryProton NMRAnimalsCattleSpectrophotometry UltravioletCarbonic AnhydrasesProtein BindingJournal of Inorganic Biochemistry
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