Search results for "Activity"

showing 10 items of 7178 documents

Pyrrolo[2,3-h]quinolinones: synthesis and photochemotherapic activity.

2003

A series of derivatives of the new ring system pyrrolo[2,3-h]quinoline-2-one was synthesized and evaluated as photoreagents toward cultured human tumor cells. Remarkable phototoxycity resulted for some derivatives, especially those bearing the phenyl group at the 7-position.

StereochemistryFibrosarcomaClinical BiochemistryPharmaceutical ScienceAntineoplastic AgentsQuinolonesRing (chemistry)BiochemistryChemical synthesischemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoveryTumor Cells CulturedPhenyl groupHumansPhotosensitizerPyrrolesMolecular BiologyPhotosensitizing AgentsChemistryOrganic ChemistryGeneral MedicineIn vitroHuman tumorPhotochemotherapyCell cultureLactamMolecular MedicineDrug Screening Assays AntitumorBioorganicmedicinal chemistry letters
researchProduct

Synthesis of new antimicrobial pyrrolo[2,1-a]isoquinolin-3-ones

2012

The attractive structure of the pyrroloisoquinoline moiety, together with its potential antimicrobial activity, encouraged us to prepare six 8-substituted and seven 8,9-disubstituted-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-3-ones in a few steps with good yields. We applied a convenient methodology via double intramolecular cyclization conducted by a Bischler-Napieralski cyclodehydration-imine reduction sequence, which is widely employed in the synthesis of isoquinoline alkaloids. Therefore, we synthesized three series of these pyrrolo[2,1-a]isoquinolin-3-ones characterized by the substituent at the 8-position or 8,9-positions of the aromatic ring: (a) different side chains are atta…

StereochemistryFungicideClinical BiochemistrySubstituentPharmaceutical ScienceMicrobial Sensitivity TestsRing (chemistry)Gram-Positive BacteriaBiochemistrychemistry.chemical_compoundStructure-Activity RelationshipQUIMICA ORGANICAAnti-Infective AgentsBischler-Napieralski cyclodehydrationGroup (periodic table)Drug DiscoveryGram-Negative BacteriaSide chainStructure–activity relationshipMoietyPyrrolesBactericideIsoquinolineMolecular BiologyChemistryOrganic ChemistryFungiAntimicrobialIsoquinolinesPyrrolo[21-a]isoquinolin-3-onesMolecular Medicine
researchProduct

Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole-5-one as a non-ligand-binding-p…

2014

We report the discovery of 1-benzyl-2-(3- fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole- 5-one as a novel non-ligand binding pocket (non-LBP) antagonist of the androgen receptor (AR) through the application of molecular topology techniques. This compound, validated through time-resolved fluorescence resonance energy transfer and fluorescence polarization biological assays, provides the basis for lead optimization and structure−activity relationship analysis of a new series of non-LBP AR antagonists. Induced-fit docking and molecular dynamics studies have been performed to establish a consistent hypothesis for the interaction of the new active molecule on the AR surface. Refereed/…

StereochemistryGeneral Chemical EngineeringMolecular ConformationLibrary and Information SciencesMolecular Dynamics Simulationmolecular topologySmall Molecule LibrariesMolecular dynamicschemistry.chemical_compoundStructure-Activity RelationshipUser-Computer Interfaceexperimental validationDrug DiscoveryFluorescence Resonance Energy TransferMoleculeHumansPyrrolesPyrroleBinding SitesChemistryAntagonistAndrogen AntagonistsGeneral Chemistryvirtual screeningComputer Science ApplicationsHigh-Throughput Screening AssaysAndrogen receptorMolecular Docking SimulationFörster resonance energy transferDocking (molecular)Receptors AndrogenThermodynamicsFluorescence anisotropyProtein Binding
researchProduct

Straightforward Regio- and Diastereoselective Synthesis, Molecular Structure, Intermolecular Interactions and Mechanistic Study of Spirooxindole-Engr…

2021

Straightforward regio- and diastereoselective synthesis of bi-spirooxindole-engrafted rhodanine analogs 5a–d were achieved by one-pot multicomponent [3 + 2] cycloaddition (32CA) reaction of stabilized azomethine ylide (AYs 3a–d) generated in situ by condensation of L-thioproline and 6-chloro-isatin with (E)-2-(5-(4-chlorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-(2-morpholinoethyl)acetamide. The bi-spirooxindole-engrafted rhodanine analogs were constructed with excellent diastereo- and regioselectivity along with high chemical yield. X-ray crystallographic investigations for hybrid 5a revealed the presence of four contiguous stereocenters related to C11, C12, C19 and C22 of the spiro struct…

StereochemistryHirshfeld DFTPharmaceutical ScienceAzomethine ylideOrganic chemistryArticleAnalytical ChemistryStereocenterchemistry.chemical_compoundQD241-441spirooxindole; rhodanine; azomethine ylides; [3 + 2] cycloaddition (32CA) reactions; hydrogen bonding; Hirshfeld DFT; supernucleophilesNucleophileDrug DiscoveryrhodanineReactivity (chemistry)Physical and Theoretical Chemistryheterosykliset yhdisteetsupernucleophilesvetysidoksettiheysfunktionaaliteoriaRegioselectivityazomethine ylidesspirooxindolehydrogen bondingCycloaddition[3 + 2] cycloaddition (32CA) reactionsRhodaninechemistryChemistry (miscellaneous)Molecular MedicineDerivative (chemistry)Molecules; Volume 26; Issue 23; Pages: 7276
researchProduct

Synthesis and characterization of triphenyltin(IV) 5-[(E)-2-(aryl)-1-diazenyl]-2-hydroxybenzoates. Crystal and molecular structures of Ph3Sn{O2CC6H3-…

2005

Abstract Triphenyltin 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoate, Ph3SnL2H, has been prepared and characterized, its structure determined by X-ray crystallography, and the structure compared with those of its homologues. Two polymorphs were isolated from the same crystallization attempt. The reactivity of tetrahedral Ph3SnL1H (L1H = 5-[(E)-2-(2-methylphenyl)-1-diazenyl]-2-hydroxybenzoate) towards 2,2′-bipyridine (bipy) has been investigated to ascertain the ability of bipy to coordinate to the Sn-complex and the resultant changes in the molecular architecture. The crystal structure of the product revealed that the bipy moiety does not coordinate to the Sn atom, but forms a cycl…

StereochemistryHydrogen bondArylOrganic ChemistryCrystal structureBiochemistry22'-BipyridineAdductInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMaterials ChemistryMoietyReactivity (chemistry)Physical and Theoretical ChemistryHydroxybenzoatesJournal of Organometallic Chemistry
researchProduct

Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of …

2006

The preparation of a new bis(dichloroimidazolylidene) ligand has provided chelate-N-heterocyclic complexes of Rh(I) and Ir(I), which have been fully characterized. The crystal structures of three of the new complexes are described. The study of the electronic properties of the new ligands was made on the basis of the ν(CO) stretching frequencies of the carbonyl derivatives, showing that the chloroimidazolylidene ligand is significantly less σ-donating than the related nonchlorinated analogue. This electronic modification of the ligand has important implications for the catalytic properties of the compounds obtained, as observed from enhanced activity shown in catalytic hydrosilylation of te…

StereochemistryHydrosilylationLigandOrganic Chemistrychemistry.chemical_elementCrystal structureMedicinal chemistryRhodiumCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryCarbonyl derivativesReactivity (chemistry)IridiumPhysical and Theoretical ChemistryOrganometallics
researchProduct

Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes

2001

Mixtures of “Pd(dba)2” (dba = dibenzylideneacetone) and 2,2‘-bipyridine (bpy; 1:2) or N,N,N‘,N‘-tetramethylethylenediamine (tmeda; 1:1) react with 2-bromo-4-nitroaniline to give [Pd{C6H3NH2-2-NO2-5}Br(N−N)] (N−N = bpy (1b), tmeda (1b‘)). Reactions of 2-iodoaniline with mixtures of “Pd(dba)2” and isonitriles RNC (R = C6H3Me2-2,6 (Xy), 2:1:2 molar ratios; R = tBu, 2.9:1:2 molar ratios) result in the formation of the complexes [Pd{κ2C,N-C(NXy)C6H4NH2-2}I(CNXy)] (2a) and trans-[Pd{C(NtBu)C6H4NH2-2}I(CNtBu)2] (3a*). The reactions of [Pd{C6H4NH2-2}I(bpy)] and 1b‘ with RNC give the complexes trans-[Pd{C(NR)C6H3NH2-2-Y-5}}X(CNR)2] (Y = H, X = I, R = Xy (3a), tBu (3a*); Y = NO2, X = Br, R = Xy (3b),…

StereochemistryLigandOrganic ChemistryCationic polymerizationchemistry.chemical_elementDecompositionMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundchemistryDibenzylideneacetoneReactivity (chemistry)Physical and Theoretical ChemistryPalladiumOrganometallics
researchProduct

Ferrocenyl-Coupled N-Heterocyclic Carbene Complexes of Gold(I)

2016

Four gold(I) carbene complexes featuring 4-ferro-cenyl-substituted imidazol-2-ylidene ligands were investigated for antiproliferative and antivascular properties. They were active against a panel of seven cancer cell lines, including multidrug-resistant ones, with low micromolar or nanomolar IC50 (72 h) values, according to their lipophilicity and cellular uptake. The delocalized lipophilic cationic complexes 8 and 10 acted by increasing the reactive oxygen species in two ways: through a genuine ferrocene effect and by inhibiting the thioredoxin reductase. Both complexes gave rise to a reorganization of the F-actin cytoskeleton in endothelial and melanoma cells, associated with a G1 phase c…

StereochemistryMetallocenesThioredoxin reductaseANTITUMOR-ACTIVITYDNA-BINDINGAntineoplastic AgentsCARCINOMA-CELLSCELLULAR UPTAKEPOTENTIAL ANTICANCER010402 general chemistrymetal-based drugs01 natural sciencesCatalysisantitumor agentschemistry.chemical_compoundMiceCoordination ComplexesAnimalsQDFerrous CompoundsIC50CANCER CELLSantivascular activitychemistry.chemical_classificationTube formationReactive oxygen species010405 organic chemistryChemistryOrganic ChemistryCell migrationGeneral ChemistryIN-VITROgold0104 chemical sciencescarbenesChorioallantoic membraneLipophilicityMETAL-COMPLEXESReactive Oxygen SpeciesTHIOREDOXIN REDUCTASE INHIBITORSCHORIOALLANTOIC MEMBRANE MODELCarbeneChemistry
researchProduct

Four-, five- and six-coordinated Zn-II complexes of OH-containing ligands: Syntheses, structure and reactivity

2002

Four-, five- and six-coordinated complexes of Zn-II with OH-rich molecules possessing an ONO binding core were synthesized, characterized and their structures were established by single-crystal X-ray diffraction, The corresponding metal ion geometries were found to be distorted tetrahedral, square pyramidal and octahedral, respectively. The complexes exhibit interesting lattice structures such as layered and corrugated sheets owing to the presence of a number of weak intermolecular interactions. The five-coordinated, water-bound Zn-II complex was studied because of its putative hydrolysis property towards p-nitrophenyl acetate. (C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.

StereochemistryMetalloenzymesCrystal structureInorganic ChemistryX-Ray DiffractionCrystal-StructuresElectrochemistryMoleculeReactivity (chemistry)IonMonooxovanadium(V)ChemistryHydrogen bondIntermolecular forceCarbonic-AnhydraseNO LigandsHydrogen BondsSquare pyramidal molecular geometryCrystallographyVanadium(V) ComplexesRecognitionZincZinc EnzymesOctahedronX-ray crystallographyDerivativesModelIndraStra Global
researchProduct

Synthesis and monoamine uptake inhibition of conformationally constrained 2β-carbomethoxy-3β-phenyl tropanes

2009

A series of 2beta-carbomethoxy-3beta-phenyl tropanes with conformationally constrained nitrogen substituents were synthesized as potential selective dopamine transporter ligands. These novel compounds were examined for their monoamine uptake inhibition potency at the human dopamine transporter (hDAT), the human serotonin transporter (hSERT) and the human noradrenalin transporter (hNET), stably expressed in human embryonic kidney cells (HEK). A SAR-study was conducted to determine the contribution of extended, 4-fluorinated, conformationally constrained C4 chains at the tropane nitrogen to human monoamine transporter affinity and selectivity.

StereochemistryMolecular ConformationLigandsBiochemistryStructure-Activity Relationshipchemistry.chemical_compoundHumansBiogenic MonoaminesPhysical and Theoretical ChemistrySerotonin transporterDopamine transporterSerotonin Plasma Membrane Transport ProteinsDopamine Plasma Membrane Transport ProteinsNorepinephrine Plasma Membrane Transport ProteinsbiologyMonoamine transporterChemistryOrganic ChemistryHEK 293 cellsBiological TransportStereoisomerismTransporterTropaneMonoamine neurotransmitterbiology.proteinSelectivityTropanesOrganic & Biomolecular Chemistry
researchProduct