Search results for "Assay"

showing 10 items of 2241 documents

1,2,4-Oxadiazole Topsentin Analogs with Antiproliferative Activity against Pancreatic Cancer Cells, Targeting GSK3β Kinase.

2021

A new series of topsentin analogs, in which the central imidazole ring of the natural lead was replaced by a 1,2,4- oxadiazole moiety, was efficiently synthesized. All derivatives were pre-screened for antiproliferative activity against the National Cancer Institute (NCI-60) cell lines panel. The five most potent compounds were further investigated in various pancreatic ductal adenocarcinoma (PDAC) cell lines, including SUIT-2, Capan-1, and Panc-1 cells, eliciting EC50 values in the micromolar and sub-micromolar range, associated with significant reduction of cell migration. These remarkable results might be explained by the effects of these new topsentin analogues on epithelial-to-mesenchy…

Models MolecularIndoles124-oxadiazole topsentin analogs; GSK3β kinase; inhibition of migration; PDAC antiproliferative activity; proapoptotic activityApoptosisDrug Screening Assays01 natural sciencesBiochemistrychemistry.chemical_compound124-oxadiazole topsentin analogs; GSK3β kinase; PDAC antiproliferative activity; inhibition of migration; proapoptotic activity; Antineoplastic Agents; Apoptosis; Cell Proliferation; Cell Survival; Dose-Response Relationship Drug; Drug Screening Assays Antitumor; Glycogen Synthase Kinase 3 beta; Humans; Imidazoles; Indoles; Models Molecular; Molecular Structure; Oxadiazoles; Pancreatic Neoplasms; Protein Kinase Inhibitors; Structure-Activity Relationship; Tumor Cells CulturedModelsAnnexinDrug DiscoveryTumor Cells CulturedGSK3β kinaseGeneral Pharmacology Toxicology and Pharmaceutics4-oxadiazole topsentin analogsOxadiazolesCulturedMolecular StructureChemistryKinaseImidazolesCell migrationTumor Cellsinhibition of migrationMolecular MedicineDrugIntracellularPDAC antiproliferative activityproapoptotic activityCell Survival12Antineoplastic AgentsDose-Response RelationshipStructure-Activity RelationshipPancreatic cancermedicineHumansPropidium iodideProtein Kinase InhibitorsCell ProliferationPharmacologyGlycogen Synthase Kinase 3 betaDose-Response Relationship Drug010405 organic chemistryOrganic ChemistryMolecularAntitumormedicine.diseaseSettore CHIM/08 - Chimica FarmaceuticaMolecular biology0104 chemical sciencesPancreatic Neoplasms010404 medicinal & biomolecular chemistryApoptosisCell cultureDrug Screening Assays Antitumor124-oxadiazole topsentin analogChemMedChem
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Synthesis, Anti-Inflammatory Activity, and in Vitro Antitumor Effect of a Novel Class of Cyclooxygenase Inhibitors: 4-(Aryloyl)phenyl Methyl Sulfones

2010

Following our previous research on anti-inflammatory drugs (NSAIDs), we report on the design and synthesis of 4-(aryloyl)phenyl methyl sulfones. These substances were characterized for their capacity to inhibit cyclooxygenase (COX-1 and COX-2) isoenzymes. Molecular modeling studies showed that the methylsulfone group of these compounds was inserted deep in the pocket of the human COX-2 binding site, in an orientation that precludes hydrogen bonding with Arg120, Ser353, and Tyr355 through their oxygen atoms. The N-arylindole 33 was the most potent inhibitor of COX-2 and also the most selective (COX-1/COX-2 IC(50) ratio was 262). The indole derivative 33 was further tested in vivo for its ant…

Models MolecularIndolesMolecular modelCell SurvivalStereochemistrymedicine.drug_classAntineoplastic AgentsAnti-inflammatoryStructure-Activity RelationshipIn vivoCell Line TumorDrug DiscoverymedicineAnimalsHumansCyclooxygenase InhibitorsSulfonesBinding siteIC50Cell ProliferationIndole testCyclooxygenase 2 InhibitorsbiologyChemistryStereoisomerismSettore CHIM/08 - Chimica FarmaceuticaIn vitroRats4-(Aryloyl)phenyl methyl sulfones anti-inflammatory activity antitumor effect COX-1/COX-2 selectivityCyclooxygenase 1biology.proteinThermodynamicsMolecular MedicineCyclooxygenaseDrug Screening Assays AntitumorHydrophobic and Hydrophilic InteractionsJournal of Medicinal Chemistry
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Synthesis and Biological Evaluation of 1-Methyl-2-(3',4',5'-trimethoxybenzoyl)-3-aminoindoles as a New Class of Antimitotic Agents and Tubulin Inhibi…

2008

The 2-(3,4,5-trimethoxybenzoyl)-2-aminoindole nucleus was used as the fundamental structure for the synthesis of compounds modified with respect to positions C-4 to C-7 with different moieties (chloro, methyl, or methoxy). Additional structural variations concerned the indole nitrogen, which was alkylated with small alkyl groups such as methyl or ethyl. We have identified 1-methyl-2-(3,4,5-trimethoxybenzoyl)-3-amino-7-methoxyindole as a new highly potent antiproliferative agent that targets tubulin at the colchicine binding site and leads to apoptotic cell death.

Models MolecularIndolesStereochemistryAlkylationAntimitotic AgentsChemical synthesisMiceStructure-Activity RelationshipBiopolymersTubulinCell Line TumorDrug DiscoveryStructure–activity relationshipAnimalsHumansIndole testBinding SitesbiologyTubulin ModulatorsChemistryBiological activityTubulin ModulatorsTubulinbiology.proteinMolecular MedicineAntimitotic AgentDrug Screening Assays AntitumorColchicineProtein Binding
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Variations of acidic functions at position 2 and substituents at positions 4, 5 and 6 of the indole moiety and their effect on NMDA-glycine site affi…

2003

The synthetic procedures to obtain indole derivatives with different acidic functions at position 2 of the indole are reported. The synthesised and tested derivatives comprise 5-tetrazolyl, 1,3,4-oxadiazol-5-yl-2-one, and indole-2-carboxylic acid amides with 5-aminotetrazole, methanesulphonamide and trifluoromethanesulphonamide moieties. The binding affinity was evaluated using [3H]MDL 105,519 and pig cortical brain membranes. In general, compounds with acidic functions different from a carboxylic acid moiety are less potent than indole-2-carboxylic acid derivatives. Also, the 4,6-dichloro substitution pattern was compared to 5-tert-butyl derivatives and compounds not substituted in the ben…

Models MolecularIndolesSwineStereochemistryCarboxylic acidGlycineReceptors N-Methyl-D-AspartateChemical synthesisInhibitory Concentration 50Radioligand AssayStructure-Activity Relationshipchemistry.chemical_compoundDrug DiscoveryAnimalsMoietyBenzeneImideCerebral CortexPharmacologyIndole testchemistry.chemical_classificationBinding SitesBicyclic moleculeCell MembraneOrganic ChemistryGeneral MedicineLigand (biochemistry)MembranechemistryGlycineHydantoin derivativesNMDA receptorEuropean Journal of Medicinal Chemistry
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Gain-of-function mutations in IFIH1 cause a spectrum of human disease phenotypes associated with upregulated type I interferon signaling.

2014

The type I interferon system is integral to human antiviral immunity. However, inappropriate stimulation or defective negative regulation of this system can lead to inflammatory disease. We sought to determine the molecular basis of genetically uncharacterized cases of the type I interferonopathy Aicardi-Goutières syndrome, and of other patients with undefined neurological and immunological phenotypes also demonstrating an upregulated type I interferon response. We found that heterozygous mutations in the cytosolic double-stranded RNA receptor gene IFIH1 (MDA5) cause a spectrum of neuro-immunological features consistently associated with an enhanced interferon state. Cellular and biochemica…

Models MolecularInterferon-Induced Helicase IFIH1Molecular Sequence DataHDE NEU PEDElectrophoretic Mobility Shift AssayBiologymedicine.disease_causeNervous System MalformationsReal-Time Polymerase Chain ReactionArticleDEAD-box RNA HelicasesImmune systemAutoimmune Diseases of the Nervous SystemDownregulation and upregulationAnalysis of Variance; Autoimmune Diseases of the Nervous System; Base Sequence; DEAD-box RNA Helicases; Electrophoretic Mobility Shift Assay; Exome; HEK293 Cells; Humans; Interferon Type I; Microsatellite Repeats; Molecular Sequence Data; Mutation; Nervous System Malformations; Real-Time Polymerase Chain Reaction; Sequence Analysis DNA; Signal Transduction; Spectrum Analysis; Models Molecular; Phenotype; GeneticsModelsInterferonGeneticsmedicineHumansExomeMutationAnalysis of VarianceBase SequenceSpectrum AnalysisMolecularRNAMDA5DNASequence Analysis DNAMolecular biology3. Good healthInterferon Tipo IHEK293 CellsPhenotypeInterferon Type IMutationCancer researchSignal transductionSequence AnalysisInterferon type Imedicine.drugMicrosatellite RepeatsSignal TransductionNature genetics
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Luminescent alkynyl-gold(i) coumarin derivatives and their biological activity

2013

The synthesis and characterization of three propynyloxycoumarins are reported in this work together with the formation of three different series of gold(i) organometallic complexes. Neutral complexes are constituted by water soluble phosphines (PTA and DAPTA) which confer water solubility to them. The X-ray crystal structure of 7-(prop-2-in-1-yloxy)-1-benzopyran-2-one and its corresponding dialkynyl complex is also shown and the formation of rectangular dimers for the gold derivative in the solid state can be observed. A detailed analysis of the absorption and emission spectra of both ligands and complexes allows us to attribute the luminescent behaviour to the coumarin organic ligand. More…

Models MolecularLuminescenceThioredoxin-Disulfide ReductasePhosphinesAntineoplastic AgentsCrystal structureCrystallography X-RayPhotochemistryInorganic ChemistryMetalchemistry.chemical_compoundCoumarinsCell Line TumorNeoplasmsPolymer chemistryHumansPropynyloxycoumarins; Gold(I) complexes; X-ray crystallography; Luminiscence; Biological activityta116Aqueous solutionLigandWaterBiological activityCoumarinSolubilitychemistryvisual_artvisual_art.visual_art_mediumDrug Screening Assays AntitumorLuminescencePhosphorescenceOrganogold CompoundsDalton Trans.
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Triphenyltin(IV) 2-[(E)-2-(aryl)-1-diazenyl]benzoates as anticancer drugs: Synthesis, structural characterization, in vitro cytotoxicity and study of…

2009

Summary: Triphenyltin(IV) complexes of composition [Ph3SnL 1H]n (1) and [Ph3SnL2H]n (2) (where L1H=2-[(E)-2-(3-formyl-4-hydroxyphenyl)-1-diazenyl] benzoate and L2H = 2-[(E)-2-(4-Hydroxy-5-methylphenyl)-1-diazenyl] benzoate) were synthesized and characterized by spectroscopic (1H, 13C and 119Sn NMR, IR, 119Sn Mössbauer) techniques in combination with elemental analysis. The molecular structures and geometries of the complexes (1 and 2) were fully optimized using the quantum mechanical method (PM3). Complexes (1 and 2) were found to exhibit stronger cytotoxic activity in vitro across a panel of human tumour cell lines viz., A498, EVSA-T, H226, IGROV, M19 MEL, MCF-7 and WIDR. The test compound…

Models MolecularMagnetic Resonance SpectroscopySpectrophotometry InfraredStereochemistryTriphenyltin(IV) 2-[(E)-2-(4-Hydroxy-5-methylphenyl)-1-diazenyl]benzoateAntineoplastic AgentsCrystallography X-RayThymidylate synthaseAnti-cancer drugTriphenyltin(IV) benzoateCell Line TumorRibonucleotide ReductasesOrganotin CompoundsHumansPharmacology (medical)Pharmacologychemistry.chemical_classificationBinding SitesbiologyCell DeathChemistryTopoisomeraseThymidylate SynthaseIn vitroBenzoatesRibonucleotide reductaseEnzymeOncologyDocking (molecular)Cell cultureSettore CHIM/03 - Chimica Generale E InorganicaDocking studiebiology.proteinQuantum TheoryThermodynamicsTriphenyltin(IV) 2-[(E)-2-(3-formyl-4-hydroxyphenyl)-1-diazenyl]benzoateDrug Screening Assays AntitumorCell line
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Phosphonic Acid Analogs of Fluorophenylalanines as Inhibitors of Human and Porcine Aminopeptidases N: Validation of the Importance of the Substitutio…

2020

International audience; A library of phosphonic acid analogs of phenylalanine substituted with fluorine, chlorine and trifluoromethyl moieties on the aromatic ring was synthesized and evaluated for inhibitory activity against human (hAPN) and porcine (pAPN) aminopeptidases. Fluorogenic screening indicated that these analogs are micromolar or submicromolar inhibitors, both enzymes being more active against hAPN. In order to better understand the mode of the action of the most active compounds, molecular modeling was used. It confirmed that aminophosphonic portion of the enzyme is bound nearly identically in the case of all the studied compounds, whereas the difference in activity results fro…

Models MolecularMolecular modelPhosphorous AcidsSwineStereochemistrylcsh:QR1-502chemistry.chemical_elementPhenylalanine[CHIM.THER]Chemical Sciences/Medicinal ChemistryCD13 AntigensRing (chemistry)Biochemistrylcsh:MicrobiologyArticle03 medical and health scienceschemistry.chemical_compound0302 clinical medicinefluorineinhibitorsChlorineSide chainAnimalsHumansMolecular BiologyEnzyme Assays030304 developmental biologyphosphonic acid analogschemistry.chemical_classification0303 health sciencesTrifluoromethyl[CHIM.ORGA]Chemical Sciences/Organic chemistrymolecular modelingReproducibility of ResultsStereoisomerismMolecular Docking SimulationEnzymechemistry030220 oncology & carcinogenesishuman and porcine aminopeptidaseEnantiomerMolecules
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Synthesis and cytotoxic activity of a new potential DNA bisintercalator: 1,4-Bis{3-[N-(4-chlorobenzo[g]phthalazin-1-yl)aminopropyl]}piperazine

2010

The synthesis of new 1,4-bisalkylamino (2-4) and 1-alkylamino-4-chloro (5-6) substituted benzo[g]phthalazines is reported. Compounds 2-4 and 6 were prepared both in the free and heteroaromatic ring protonated forms. Bifunctional 6 contains the 1,4-bisaminopropylpiperazine chain as a linker between the two heteroaromatic units, whereas 5 is its monofunctional analogue. The in vitro antitumour activity of the synthesized compounds has been tested against human colon, breast and lung carcinoma cells, and also against human glioblastoma cells. Results obtained show that all of them are active in all cases, but bifunctional 6·2HCl is remarkably effective against the four cell lines tested, exhib…

Models MolecularMolecular modelStereochemistryClinical BiochemistryPharmaceutical ScienceAntineoplastic AgentsNucleic Acid DenaturationBiochemistryChemical synthesisPiperazineschemistry.chemical_compoundCell Line TumorNeoplasmsDiamineDrug DiscoveryHumansBifunctionalPiperazineMolecular BiologyCell ProliferationChemistryOrganic ChemistryDNAIntercalating AgentsPiperazinePhthalazinesMolecular MedicineDrug Screening Assays AntitumorLinkerDNAPhthalazines
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Synthesis of site-heterologous haptens for high-affinity anti-pyraclostrobin antibody generation.

2011

The design and synthesis of functional chemical derivatives of small organic molecules is usually a key step for the intricate production of a variety of bioconjugates. In this respect, the derivatization site at which the spacer arm is introduced in immunizing conjugates constitutes a highly critical parameter for the generation of high-affinity and selective antibodies. However, due to the usual complexity of the required synthetic procedures, the appropriate comparison of alternative tethering positions has often been neglected. In the present study, meticulous strategies were followed to prepare synthetic derivatives of pyraclostrobin with the same linkers located at diverse rationally-…

Models MolecularMolecular modelStereochemistryHeterologousBiochemistryAntibodieschemistry.chemical_compoundAntibody generationMoleculePhysical and Theoretical ChemistryImmunoassaysDerivatizationBioconjugationMolecular StructureOrganic ChemistryStrobilurinsCombinatorial chemistryAffinitieschemistryComputer assisted molecular modelingPyrazolesCarbamatesHaptenHaptensConjugateOrganicbiomolecular chemistry
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