Search results for "Neoplastic"

showing 10 items of 2901 documents

DNA binding and antiproliferative activity toward human carcinoma cells of copper(ii) and zinc(ii) complexes of a 2,5-diphenyl[1,3,4]oxadiazole deriv…

2012

The interaction of calf thymus DNA with [CuL(ClO(4))]ClO(4)·H(2)O (1) and [ZnLBr]Br·H(2)O (2) (L = 9,12,15,18,27,28-hexaaza-29-oxatetracyclo[24.2.1.0(2,7).0(20,25)]enneicosa-2,4,6,20,22,24,26,28(1)-octaene) dicationic complexes in aqueous solution at neutral pH, was investigated by variable-temperature UV-vis absorption, circular dichroism and fluorescence spectroscopy. The values of the DNA-binding constants of these complexes, determined by competitive binding spectrofluorimetric titrations of ethidium bromide (EB)-DNA solutions, are (6.7 ± 0.5) × 10(6) M(-1) for CuL(2+) and (4.7 ± 0.5) × 10(5) M(-1) for ZnL(2+). These data together with a through analysis of the spectroscopic behaviour c…

Models MolecularCircular dichroismDNA binding antiproliferative activity 25-diphenyl[134]oxadiazole derivativeStereochemistryCell SurvivalOxadiazoleAntineoplastic AgentsBreast NeoplasmsNucleic Acid DenaturationFluorescence spectroscopyInorganic Chemistrychemistry.chemical_compoundCoordination ComplexesCell Line TumorHumansOxazolesAqueous solutionDNAIn vitroZincchemistrySettore CHIM/03 - Chimica Generale E InorganicaTitrationFemaleEthidium bromideDNACopper
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Modulation of DNA binding by reversible metal-controlled molecular reorganizations of scorpiand-like ligands.

2012

DNA interaction with scorpiand azamacrocycles has been achieved through modulation of their binding affinities. Studies performed with different experimental techniques provided evidence that pH or metal-driven molecular reorganizations of these ligands regulate their ability to interact with calf thymus DNA (ctDNA) through an intercalative mode. Interestingly enough, metal-driven molecular reorganizations serve to increase or decrease the biological activities of these compounds significantly.

Models MolecularCircular dichroismMacrocyclic CompoundsStereochemistryCell SurvivalDna interactionAntineoplastic AgentsNucleic Acid DenaturationBiochemistryCatalysisMetalchemistry.chemical_compoundColloid and Surface ChemistryCell Line TumorNeoplasmsAnimalsHumansBinding affinitiesCircular DichroismGeneral ChemistryDNAIntercalating AgentsDNA metabolismchemistryCell cultureMetalsvisual_artvisual_art.visual_art_mediumCattleSpectrophotometry UltravioletProtonsDNAJournal of the American Chemical Society
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Steroidal saponins from Raphia vinifera and their cytotoxic activity

2020

Abstract Phytochemical analysis of the fruits of Raphia vinifera led to the isolation of four new steroidal saponins (1–4), along with six known secondary metabolites (6–10). The structures of the isolated compounds were determined based on the analyses of NMR and mass spectrometric data, and chemical degradation reactions. Among the compounds tested, 1 and 4 showed the most promising cytotoxic activity against the drug-sensitive CCRF-CEM leukemia cell lines, with IC50 values of 3.55 µM and 7.14 µM, respectively.

Models MolecularClinical BiochemistryMolecular ConformationAntineoplastic Agents030209 endocrinology & metabolismArecaceaeBiochemistryLeukemia cell line03 medical and health sciences0302 clinical medicineEndocrinologyCell Line TumorIc50 valuesHumansCytotoxic T cellCytotoxicityMolecular BiologyPharmacologybiologyChemistryOrganic ChemistrySaponinsbiology.organism_classificationMass spectrometricRaphia viniferaPhytochemicalBiochemistry030220 oncology & carcinogenesisSteroidsSteroids
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Design, synthesis, and SAR analysis of cytotoxic sinapyl alcohol derivatives.

2005

Five series totalling 51 of sinapyl alcohol derivatives were designed and synthesized. Their cytotoxicity analyses were performed oil six human tumor cell lines Such as PC-3. CNE, KB, A549, BEL-7404, and HeLa. Certain sinapyl alcohol derivatives showed significant cytotoxic activities. Compound 14d exhibited especially potent cytotoxicity against the BEL-7404 cell line with an IC50 value of 0.7 mu M, which showed more cytotoxic activity than the positive control, cisplatin. The structure-cytotoxicity relationships were discussed and the CoMFA analysis was performed using the cytotoxic data against HeLa cells as a template. (c) 2005 Elsevier Ltd. All rights reserved.

Models MolecularClinical BiochemistryPharmaceutical ScienceQuantitative Structure-Activity RelationshipAntineoplastic AgentsBiochemistryChemical synthesisHeLachemistry.chemical_compoundInhibitory Concentration 50Cell Line TumorDrug DiscoveryElectrochemistryCytotoxic T cellHumansCytotoxicityMolecular BiologyIC50biologyPhenylpropionatesOrganic Chemistrybiology.organism_classificationIn vitroSinapyl alcoholchemistryBiochemistryCell cultureDrug DesignMolecular MedicineDrug Screening Assays AntitumorHeLa CellsBioorganicmedicinal chemistry
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Molecular Docking approach on the Topoisomerase I inhibitors series included in the NCI anti-cancer agents mechanism database

2006

Topoisomerase I (Top1) is an essential enzyme participating to all those processes associated with separation of DNA strands. It manages superhelical tensions through the transient breakage of one strand of duplex DNA, followed by the unwinding of supercoiled DNA. Camptothecins, a class of alkaloids extracted from the wood of a Chinese tree, were found to be potent inhibitors of Topoisomerase I. The National Cancer Institute (NCI) Anti-cancer Agents Mechanism Database contains several camptothecins derivatives, classified as selective Top1 inhibitors. In this work we performed molecular docking studies on 24 camptothecin-like inhibitors present in this database (using Autodock 3.0.5). In or…

Models MolecularDatabases FactualProtein ConformationStereochemistryMolecular ConformationAntineoplastic AgentsTopoisomerase I inhibitorsTopoisomerase-I Inhibitorcomputer.software_genreCatalysisInorganic Chemistrychemistry.chemical_compoundEnzyme InhibitorsPhysical and Theoretical ChemistryAutodockchemistry.chemical_classificationBinding SitesDatabasebiologyTopoisomeraseOrganic ChemistryActive siteDNAAutoDockUnited StatesComputer Science ApplicationsEnzymeDNA Topoisomerases Type INational Institutes of Health (U.S.)Computational Theory and MathematicschemistryDocking (molecular)Molecular dockingbiology.proteinDNA supercoilCamptothecincomputerDNA
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Self-assembly of janus dendrimers into uniform dendrimersomes and other complex architectures

2010

Janus Drug Delivery Vehicle Efficient drug delivery vehicles need to be produced in a limited size range and with uniform size distribution. The self-assembly of traditional small-molecule and polymeric amphiphiles has led to the production of micelles, liposomes, polymeric micelles, and polymersomes for use in drug delivery applications. Now, Percec et al. (p. 1009 ) describe the self-assembly of Janus-type (i.e., two-headed) dendrimers to produce monodisperse supramolecular constructs, termed “dendrimersomes,” and other complex architectures. The structures, which showed long-term stability as well as very narrow size distributions, were easily produced by the injection of an ethanolic so…

Models MolecularDendrimersMaterials scienceSurface Propertiesta221Complex ArchitecturesNanotechnologyMolecular Dynamics SimulationSurface-Active AgentsBiomimetic MaterialsDendrimerAmphiphileJanusta218LiposomeDrug Carriersta214MultidisciplinaryAntibiotics Antineoplasticta114Molecular StructureVesicleCryoelectron MicroscopyWaterMembranes ArtificialNanostructuresJanus DendrimersSelf-AssemblyMembraneUniform DendrimersomesDoxorubicinPolymersomeSelf-assemblyHydrophobic and Hydrophilic InteractionsScience
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DOTASQ as a prototype of nature-inspired G-quadruplex ligand

2011

DOTASQ (for DOTA-templated Synthetic G-quartet) is the first prototype of nature-inspired G-quadruplex ligand: its design, founded on a possible intramolecular G-quartet formation, enables it to interact with G-quadruplex DNA via an unprecedented nature-mimicking binding mode, based on the association between two G-quartets, one being native (quadruplex) and the other one artificial (ligand).

Models MolecularGuanineMacrocyclic CompoundsStereochemistryAntineoplastic AgentsLigands010402 general chemistryG-quadruplex01 natural sciencesCatalysischemistry.chemical_compoundMaterials ChemistryHumans[CHIM]Chemical SciencesNature inspiredTerbiumComputingMilieux_MISCELLANEOUSBinding SitesFourier Analysis010405 organic chemistryMetals and AlloysGeneral ChemistryLigand (biochemistry)0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsG-QuadruplexeschemistryMolecular ProbesIntramolecular forceCeramics and CompositesNucleic Acid ConformationHydrophobic and Hydrophilic InteractionsDNA
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Finely Tuned Temperature-Controlled Cargo Release Using Paraffin-Capped Mesoporous Silica Nanoparticles

2011

[EN] Trapped: Mesoporous silica nanoparticles were loaded with a fluorescent guest and functionalized with octadecyltrimethoxysilane. The alkyl chains interact with paraffins, which build a hydrophobic layer around the particle (see picture). Upon melting of the paraffin, the guest molecule is released, as demonstrated in cells for the guest doxorubicin. The release temperature can be tuned by choosing an appropriate paraffin. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Models MolecularINGENIERIA DE LA CONSTRUCCIONGuest moleculesParaffinsParaffin waxesNanoparticlemesoporous materialsMCM-41Phenazine derivativeFunctionalizedCell survivalNanoparticleQUIMICA ORGANICAChemical structureX-Ray DiffractionSafranin tSilicon dioxideControlled releaseAlkyl chainDrug CarriersMicroscopy ConfocalMolecular StructureOctadecyltrimethoxysilaneSurface propertyTemperatureSilicaGeneral MedicineChemistryAntineoplastic agentParaffinHeLa cellPorosityHumanMaterials scienceDrug carrierX ray diffractionSurface PropertiesMesoporous silica nanoparticlesNanotechnologyAntineoplastic AgentsMesoporousCatalysisDrug interactionsArticleMicroscopy Electron TransmissionHumansCell survivalDrug effectDelayed release formulationHydrophobic layersQUIMICA INORGANICAGeneral ChemistryMesoporous silicaMolecular gatesMesoporous materialsMcm 41Confocal microscopyDrug effectSolubilityDoxorubicinDelayed-Action Preparationsdrug deliveryDrug deliveryNanoparticlesPhenazinesnanoparticlesMesoporous materialcontrolled releasemolecular gatesTransmission electron microscopyHeLa CellsAngewandte Chemie
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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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