Search results for "Assay"

showing 10 items of 2241 documents

Dibutyltin(IV) complexes containing arylazobenzoate ligands: chemistry, in vitro cytotoxic effects on human tumor cell lines and mode of interaction …

2009

Dibutyltin(IV) complexes of composition Bu2Sn (LH)2, where LH is a carboxylate residue derived from 2-[(E)- (5-tert-butyl-2- hydroxyphenyl)diazenyl]benzoate (L1H) with water molecule (1), 4-[(E)-(5-tert-butyl-2-hydroxyphenyl) diazenyl]benzoate (L2H) (2) and 4-[(E)-(4-hydroxy-5- methylphenyl)diazenyl]benzoate (L3H) (3), were synthesized and characterized by spectroscopic (1H, 13C and 119Sn NMR, IR, 119Sn Mössbauer) techniques. A full characterization was accomplished from the crystal structure of complex 1. The molecular structures and geometries of the complexes (1a i.e. 1 without water molecule and 3) were fully optimized using the quantum mechanical method (PM6). Complexes 1 and 3 were fo…

Models MolecularStereochemistryMolecular ConformationCrystallography X-RayLigandsThymidylate synthaseAnti-cancer drugchemistry.chemical_compoundCell Line TumorRibonucleotide ReductasesOrganotin CompoundsMoleculeHumansPharmacology (medical)CarboxylateArylazobenzoateSpectroscopyPharmacologychemistry.chemical_classificationBinding SitesbiologyCell DeathTopoisomeraseHydrogen BondingThymidylate SynthaseIn vitroEnzymesRibonucleotide reductaseEnzymeDNA Topoisomerases Type IIOncologychemistrySettore CHIM/03 - Chimica Generale E InorganicaDocking (molecular)Docking studieDibutyltin(IV) compoundbiology.proteinQuantum TheoryDrug Screening Assays AntitumorCell lineInvestigational new drugs
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Development of Bimetallic Titanocene−Ruthenium−Arene Complexes As Anticancer Agents: Relationships between Structural and Biological Properties

2010

A series of bimetallic titanium-ruthenium complexes of general formula [(η(5)-C(5)H(5))(μ-η(5):κ(1)-C(5)H(4)(CR(2))(n)PR'R'')TiCl(2)](η(6)-p-cymene)RuCl(2) (n = 0, 1, 2 or 4; R = H or Me; R' = H, Ph, or Cy; R'' = Ph or Cy) have been synthesized, including two novel compounds as well as two cationic derivatives of formula [(η(5)-C(5)H(5))(μ-η(5):κ(1)-C(5)H(4)(CH(2))(n)PPh(2))TiCl(2)] [(η(6)-p-cymene)RuCl](BF(4)) (n = 0 or 2). The solid state structure of two of these compounds was also established by X-ray crystallography. The complexes showed a cytotoxic effect on human ovarian cancer cells and were markedly more active than their Ti or Ru monometallic analogues titanocene dichloride and RA…

Models MolecularStereochemistrychemistry.chemical_elementAntineoplastic AgentsCrystal structureCrystallography X-RayRutheniumCathepsin BMetalStructure-Activity Relationshipchemistry.chemical_compoundCoordination ComplexesCell Line TumorDrug DiscoveryAnimalsHumansBimetallic stripAlkylTitaniumchemistry.chemical_classificationCationic polymerizationTitanocene dichlorideRutheniumEnzymechemistryDrug Resistance Neoplasmvisual_artvisual_art.visual_art_mediumMolecular MedicineCattleDrug Screening Assays AntitumorProtein BindingJournal of Medicinal Chemistry
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Palladium(II)-Stabilized Pyridine-2-Diazotates: Synthesis, Structural Characterization, and Cytotoxicity Studies

2018

Well-defined diazotates are scarce. Here we report the synthesis of unprecedented homoleptic palladium(II) diazotate complexes. The palladium(II)-mediated nitrosylation of 2-aminopyridines with NaNO2 results in the formation of metal-stabilized diazotates, which were found to be cytotoxic to human ovarian cancer cells.

Models Molecularinorganic chemicalsCell SurvivalPyridinesPyrazine Diazohydroxidechemistry.chemical_elementAntineoplastic AgentsorganometalliyhdisteetCrystallography X-Ray010402 general chemistry01 natural sciencesInorganic ChemistryStructure-Activity Relationshipchemistry.chemical_compoundCoordination ComplexesCell Line Tumororganometallic compoundsPyridineHumansCytotoxic T cellsytotoksisuusPhysical and Theoretical ChemistryHomolepticCytotoxicityta116Cell ProliferationDose-Response Relationship DrugMolecular Structure010405 organic chemistryNitrosylationCombinatorial chemistry0104 chemical sciencesHEK293 Cellssyöpäsolutchemistrycancer cellsOvarian cancer cellscytotoxicityDrug Screening Assays AntitumorAzo CompoundsPalladiumPalladiumInorganic Chemistry
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Virtual Combinatorial Syntheses and Computational Screening of New Potential Anti-Herpes Compounds

1999

The activity of new anti-HSV-1 chemical structures, designed by virtual combinatorial chemical synthesis and selected by a computational screening, is determined by an in vitro assay. A virtual library of phenol esters and anilides was formed from two databases of building blocks: one with carbonyl fragments and the other containing both substituted phenoxy and phenylamino fragments. The library of virtually assembled compounds was computationally screened, and those compounds which were selected by our mathematical model as active ones were finally synthesized and tested. Our antiviral activity model is a "tandem" of four linear functions of topological graph-theoretical descriptors. A giv…

Models Molecularmedicine.drug_classStereochemistryChemical structureCarboxamideHerpesvirus 1 HumanViral Plaque AssayAntiviral AgentsChemical synthesisInhibitory Concentration 50Structure-Activity RelationshipPhenolsChlorocebus aethiopsDrug DiscoverymedicineIc50 valuesAnimalsStructure–activity relationshipAnilidesVero Cellschemistry.chemical_classificationBicyclic moleculeTandemChemistryEstersDicarboxylic acidMolecular MedicineJournal of Medicinal Chemistry
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Thermo-setting glass ionomer cements promote variable biological responses of human dental pulp stem cells.

2017

To evaluate the in vitro cytotoxicity of Equia Forte (GC, Tokyo, Japan) and Ionostar Molar (Voco, Cuxhaven, Germany) on human dental pulp stem cells (hDPSCs).hDPSCs isolated from third molars were exposed to several dilutions of Equia Forte and Ionostar Molar eluates (1/1, 1/2 and 1/4). These eluates were obtained by storing material samples in respective cell culture medium for 24h (n=40). hDPSCs in basal growth culture medium were the control. Cell viability and cell migration assays were performed using the MTT and wound-healing assays, respectively. Also, induction of apoptosis and changes in cell phenotype were evaluated by flow cytometry. Changes in cell morphology were analysed by im…

MolarMaterials scienceCell SurvivalGlass ionomer cementApoptosis02 engineering and technologyFlow cytometry03 medical and health sciences0302 clinical medicineCell MovementDental pulp stem cellsMaterials TestingmedicineHumansGeneral Materials ScienceViability assayGeneral DentistryCells CulturedDental Pulpmedicine.diagnostic_testCell growthSpectrophotometry AtomicStem CellsSpectrometry X-Ray Emission030206 dentistry021001 nanoscience & nanotechnologyFlow CytometryMolecular biologyStainingPhenotypeMechanics of MaterialsCell cultureGlass Ionomer CementsMicroscopy Electron ScanningMolar Third0210 nano-technologyDental materials : official publication of the Academy of Dental Materials
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Synthetic antitumor vaccines containing MUC1 glycopeptides with two immunodominant domains-induction of a strong immune response against breast tumor…

2011

A shot in the arm for cancer treatment: two MUC1 tetanus toxoid vaccines were synthesized and induced a strong immune response in mice. The antibodies elicited by the vaccines show a high selectivity for the tumor cells in mammary carcinoma tissues and also distinguish between tumor tissues at different stages.

Molecular ConformationAntineoplastic AgentsBreast Neoplasmscomplex mixturesCancer VaccinesCatalysisBreast tumorMiceImmune systemmedicineAnimalsMUC1Mice Inbred BALB CVaccines SyntheticbiologyTetanusChemistryMucin-1ToxoidGlycopeptidesMammary Neoplasms ExperimentalGeneral Chemistrymedicine.diseaseGlycopeptideCancer researchbiology.proteinMCF-7 CellsExperimental pathologyFemaleAntibodyDrug Screening Assays AntitumorAngewandte Chemie (International ed. in English)
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The coat protein of prunus necrotic ringspot virus specifically binds to and regulates the conformation of its genomic RNA

2003

AbstractBinding of coat protein (CP) to the 3′ nontranslated region (3′-NTR) of viral RNAs is a crucial requirement to establish the infection of Alfamo- and Ilarviruses. In vitro binding properties of the Prunus necrotic ringspot ilarvirus (PNRSV) CP to the 3′-NTR of its genomic RNA using purified E. coli- expressed CP and different synthetic peptides corresponding to a 26-residue sequence near the N-terminus were investigated by electrophoretic mobility shift assays. PNRSV CP bound to, at least, three different sites existing on the 3′-NTR. Moreover, the N-terminal region between amino acid residues 25 to 50 of the protein could function as an independent RNA-binding domain. Single exchan…

Molecular Sequence DataElectrophoretic Mobility Shift AssayPlasma protein bindingBiologyIlarvirusProtein structureVirologyElectrophoretic mobility shift assayMagnesiumAmino Acid SequencePeptide sequence3' Untranslated RegionsIlarvirusBase SequenceCircular DichroismRNA ConformationRNAbiology.organism_classificationMolecular biologyProtein Structure TertiaryBiochemistryPrunus necrotic ringspot virusNucleic Acid ConformationRNA ViralCapsid ProteinsPrunusProtein BindingVirology
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A bicistronic vector backbone for rapid seamless cloning and chimerization of αβT-cell receptor sequences.

2020

To facilitate preclinical testing of T-cell receptors (TCRs) derived from tumor-reactive T-cell clones it is necessary to develop convenient and rapid cloning strategies for the generation of TCR expression constructs. Herein, we describe a pDONR™221 vector backbone allowing to generate Gateway™ compatible entry clones encoding optimized bicistronic αβTCR constructs. It harbors P2A-linked TCR constant regions and head-to-head-oriented recognition sites of the Type IIS restriction enzymes BsmBI and BsaI for seamless cloning of the TCRα and TCRβ V(D)J regions, respectively. Additional well-established TCR optimizations were incorporated to enhance TCR functionality. This included replacing of…

Molecular biologyReceptors Antigen T-Cell alpha-betaT-LymphocytesArtificial Gene Amplification and ExtensionPolymerase Chain ReactionImmune ReceptorsBiochemistryWhite Blood CellsTransduction (genetics)Animal CellsTransduction GeneticCellular typesChlorocebus aethiopsMedicine and Health SciencesCytotoxic T cellCloning MolecularImmune System ProteinsMultidisciplinaryCOS cellsChemistryV(D)J recombinationQRVector Constructionmedicine.anatomical_structureCOS CellsMedicineResearch ArticleSignal TransductionCell biologyBlood cellsImmune CellsT cellScienceImmunologyGenetic VectorsT cellsCytotoxic T cellsComputational biologyDNA constructionResearch and Analysis MethodsCell LineGene Expression and Vector TechniquesmedicineAnimalsHumansMolecular Biology TechniquesCloningMolecular Biology Assays and Analysis TechniquesBiology and life sciencesT-cell receptorProteinsVector CloningCoculture TechniquesV(D)J RecombinationT Cell ReceptorsRestriction enzymeHEK293 CellsRetroviridaePlasmid ConstructionCloningPLoS ONE
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Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer.

2019

Estrogens play a key role in cellular proliferation of estrogen-receptor-positive (ER+) breast cancers (BCs). Suppression of estrogen production by competitive inhibitors of the enzyme aromatase (AIs) is currently one of the most effective therapies against ER + BC. Yet, the development of acquired resistance, after prolonged treatments with AIs, represents a clinical major concern. Serendipitous findings indicate that aromatase may be non-competitively inhibited by clinically employed drugs and/or industrial chemicals. Here, by performing in silico screening on two putative allosteric sites, molecular dynamics and free energy simulations, supported by enzymatic and cell-based assays, we id…

Molecular dynamicmedicine.drug_classIn silicoAllosteric regulationCytochromes P450; Aromatase; Molecular dynamics; Aromatase inhibitors; Docking; Breast cancer; Resistance onset; Mixed inhibition mechanismAntineoplastic AgentsBreast NeoplasmsMolecular dynamicsMolecular Dynamics SimulationDockingStructure-Activity RelationshipBreast cancerBreast cancerAromataseAllosteric RegulationCell Line TumorDrug DiscoverymedicineResistance onsetHumansMixed inhibition mechanismAromataseEnzyme InhibitorsCell ProliferationPharmacologychemistry.chemical_classificationbiologyDose-Response Relationship DrugMolecular StructureChemistryOrganic ChemistryRational designAromatase inhibitorGeneral Medicinemedicine.diseaseEnzymeAromatase inhibitorsSettore CHIM/03 - Chimica Generale E InorganicaEstrogenDocking (molecular)Drug Designbiology.proteinCancer researchDrug Screening Assays AntitumorCytochromes P450European journal of medicinal chemistry
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Grafting TRAIL through Either Amino or Carboxylic Groups onto Maghemite Nanoparticles: Influence on Pro-Apoptotic Efficiency

2021

International audience; Tumor necrosis factor (TNF)-related apoptosis-inducing ligand (TRAIL) is a member of the TNF cytokine superfamily. TRAIL is able to induce apoptosis through engagement of its death receptors DR4 and DR5 in a wide variety of tumor cells while sparing vital normal cells. This makes it a promising agent for cancer therapy. Here, we present two different ways of covalently grafting TRAIL onto maghemite nanoparticles (NPs): (a) by using carboxylic acid groups of the protein to graft it onto maghemite NPs previously functionalized with amino groups, and (b) by using the amino functions of the protein to graft it onto NPs functionalized with carboxylic acid groups. The two …

Molecular modelGeneral Chemical EngineeringCarboxylic acidmedicine.medical_treatment02 engineering and technologyArticlelcsh:Chemistry03 medical and health sciencesmedicine[SDV.BBM] Life Sciences [q-bio]/Biochemistry Molecular BiologyGeneral Materials Science[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular BiologyViability assaycancer diseasecell viability030304 developmental biologysurface functionalizationchemistry.chemical_classification0303 health sciencesChemistrymolecular modelingtechnology industry and agriculture021001 nanoscience & nanotechnologyLigand (biochemistry)3. Good healthmaghemiteCytokinelcsh:QD1-999BiochemistryApoptosisCell cultureTumor necrosis factor alpha0210 nano-technology
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