Search results for "antineoplastic"

showing 10 items of 2217 documents

Synthesis, physicochemical characterization, cytotoxicity, antimicrobial, anti-inflammatory and psychotropic activity of new N-[1,3-(benzo)thiazol-2-…

2012

Abstract A series of new N-[(benzo)thiazol-2-yl]-2/3-[3,4-dihydroisoquinolin-2(1H)-yl]ethan/propanamide derivatives was synthesized and characterized by 1H, 13C NMR and IR spectroscopy and mass-spectrometry. A single crystal X-ray study of N-(1,3-benzothiazol-2-yl)-2-[3,4-dihydroisoquinolin-2(1H)-yl]ethanamide is reported to determine its conformational feature. The investigated compounds were found to be active in psychotropic in vivo, anti-inflammatory in vivo and cytotoxicity in vitro screening. They possess marked sedative action, reveal high anti-inflammatory activity, have selective cytotoxic effects and NO-induction ability concerning tumour cell lines. Some of the compounds synthesi…

Models MolecularAntifungal AgentsStereochemistrymedicine.drug_classInfrared spectroscopyAntineoplastic AgentsMicrobial Sensitivity TestsCarrageenanCrystallography X-RayAnti-inflammatorychemistry.chemical_compoundMiceStructure-Activity RelationshipSeizuresCell Line TumorDrug DiscoverymedicineAnimalsEdemaHumansBenzothiazolesThiazoleCytotoxicityHypoxiaPsychomotor AgitationCell ProliferationPharmacologyPsychotropic DrugsBacteriaDose-Response Relationship DrugMolecular StructureTetrahydroisoquinolineChemistry PhysicalOrganic ChemistryAnti-Inflammatory Agents Non-SteroidalFungiGeneral MedicineCarbon-13 NMRAntimicrobialIsoquinolinesPropanamideAnti-Bacterial AgentschemistryNIH 3T3 CellsDrug Screening Assays AntitumorAnesthesia InhalationEuropean journal of medicinal chemistry
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Polymeric prodrug for release of an antitumoral agent by specific enzymes.

2001

The clinical usefulness of antitumor chemotherapy has been strongly limited by the lack of specificity of most anticancer drugs, which act also against healthy cells. The aim of this work was to design, synthesize, and evaluate a macromolecular prodrug of Cytarabine, a known antitumor drug, which is a specific substrate for plasmin enzyme whose concentration is high in various kinds of tumor mass as a result of plasminogen activator secretion. alpha,beta-Poly(N-hydroxyethyl)-DL-aspartamide (PHEA), a known synthetic and biocompatible polyamino acid, was used as a drug carrier, and Cytarabine was linked to PHEA by D-Val-Leu-Lys spacer synthesized beginning from Cbz-D-Val-LeuOH dipeptide and N…

Models MolecularAntimetabolites AntineoplasticPlasminBiomedical EngineeringPharmaceutical ScienceBioengineeringchemistry.chemical_compoundPlasmaDrug StabilitymedicineHumansProdrugsFibrinolysinPharmacologychemistry.chemical_classificationDrug CarriersDipeptideChemistryOrganic ChemistryCytarabineIn vitroKineticsEnzymeBiochemistryDrug DesignCytarabineDrug carrierPeptidesPlasminogen activatorOligopeptidesBiotechnologymedicine.drugConjugateBioconjugate chemistry
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Intercalation of daunomycin into stacked DNA base pairs. DFT study of an anticancer drug

2008

We have computationally studied the intercalation of the antitumor drug daunomycin into six stacks of Watson-Crick DNA base pairs i.e., AT-AT, AT-TA, GC-AT, CG-TA, GC-GC, GC-CG) using density functional theory (DFT). The proton affinity of the DNA intercalater daunomycin in water was computed to be 159.2 kcal/mol at BP86/TZ2P, which is in line with the experimental observation that daunomycin is protonated under physiological conditions. The intercalation interaction of protonated daunomycin with two stacked DNA base pairs was studied through a hybrid approach in which intercalation is treated at LDA/TZP while the molecular structure of daunomycin and hydrogen-bonded Watson-Crick pairs is c…

Models MolecularBase pairStereochemistryIntercalation (chemistry)Stacking/dk/atira/pure/sustainabledevelopmentgoals/clean_water_and_sanitationNucleobaseSDG 3 - Good Health and Well-beingStructural BiologyIntercalationMoleculeBase PairingMolecular BiologyAntibiotics AntineoplasticHydrogen bondChemistryDaunorubicinWaterHydrogen BondingDaunomycinDNAGeneral MedicineStacking interactionsSettore CHIM/08 - Chimica FarmaceuticaIntercalating AgentsNucleobaseCrystallographyModels ChemicalSettore CHIM/03 - Chimica Generale E Inorganica/dk/atira/pure/sustainabledevelopmentgoals/good_health_and_well_beingNucleic Acid ConformationThermodynamicsProton affinityDensity functional theoryBond energyDensity functional calculationSDG 6 - Clean Water and Sanitation
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Anticancer Agents: Does a Phosphonium Behave Like a Gold(I) Phosphine Complex? Let a “Smart” Probe Answer!

2015

Gold phosphine complexes, such as auranofin, have been recognized for decades as antirheumatic agents. Clinical trials are now underway to validate their use in anticancer or anti-HIV treatments. However, their mechanisms of action remain unclear. A challenging question is whether the gold phosphine complex is a prodrug that is administered in an inactive precursor form or rather that the gold atom remains attached to the phosphine ligand during treatment. In this study, we present two novel gold complexes, which we compared to auranofin and to their phosphonium analogue. The chosen ligand is a phosphine-based smart probe, whose strong fluorescence depends on the presence of the gold atom. …

Models MolecularBiodistributionAuranofinPhosphinesStereochemistryAntineoplastic AgentsLigandsStructure-Activity Relationshipchemistry.chemical_compoundAuranofinNeoplasmsDrug DiscoveryTumor Cells CulturedZebrafish larvaemedicineAnimalsHumansTissue DistributionPhosphoniumZebrafishCell ProliferationMolecular StructureChemistryLigandProdrugAntirheumatic AgentsLarvaMolecular MedicineGoldPhosphineDerivative (chemistry)medicine.drugJournal of Medicinal Chemistry
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Synthesis, photophysical properties and structures of organotin-Schiff bases utilizing aromatic amino acid from the chiral pool and evaluation of the…

2017

Abstract Five new organotin(IV) complexes of compositions [Me 2 SnL 1 ] ( 1 ), [Me 2 SnL 2 ] n ( 2 ), [Me 2 SnL 3 ] ( 3 ), [Ph 3 SnL 1 H] n ( 4 ) and [Ph 3 SnL 3 H] ( 5 ) (where L 1  = (2 S )-2-(( E )-(( Z )-4-hydroxypent-3-en-2-ylidene)amino)-3-(1 H -indol-3-yl)propanoate, L 2  = (2 S )-( E )-2-((2-hydroxybenzylidene)amino)-3-(1 H -indol-3-yl)propanoate and L 3  = (2 S )-( E )-2-((1-(2-hydroxyphenyl)ethylidene)amino)-3-(1 H -indol-3-yl)propanoate were synthesized and spectroscopically characterized. The crystal structures of 1 – 4 were determined. For the dimethyltin derivative 2 , a polymeric chain structure was observed as a result of a long Sn∙∙∙O contact involving the exocyclic carbony…

Models MolecularCell SurvivalStereochemistryAntineoplastic AgentsCrystal structureChiral Schiff baseCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryInorganic ChemistryAmino Acids AromaticInhibitory Concentration 50chemistry.chemical_compoundBromideCell Line TumorRiboseOrganotin CompoundsHumansSchiff BasesSpectroscopyX-ray crystallographyCoordination geometrychemistry.chemical_classificationCyclodextrin010405 organic chemistryLigandA375 (human melanoma) cell lineTryptophanStereoisomerismPhotochemical ProcessesOrganotin(IV) compound0104 chemical sciencesMolecular Docking SimulationMonomerchemistrySettore CHIM/03 - Chimica Generale E InorganicaDerivative (chemistry)Journal of Inorganic Biochemistry
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Ruthenium(II) and platinum(II) homo- and heterobimetallic complexes: Synthesis, crystal structures, theoretical calculations and biological studies

2019

Four Ru-Pd heterobimetallic complexes, each one in two different coordination modes (NNSS and NS) having metals connected by a binucleating dialkyldithiooxamidate [N(R)SC-CS(R)N] [R = methyl, ethyl, n-butyl and isopropyl], were prepared by reacting the monochelate [(trinpropyl-phosphine)ClPd(HR2C2N2S2κ-S,S-Pd)] with [(η6-p-cymene)RuCl2]2. Furthermore, two palladium homobimetallic complexes having two (trinpropyl-phosphine)ClPd moieties joined by a diethyldithiooxamidate in both κ-N,S Pd, κ-N',S' Pd' and κ-N,N' Pd, κ-S,S' Pd' coordination modes were synthesized. For both kinds of complexes, homo- and heterobimetallic, at room temperature and in chloroform solution, the NNSS coordination mode…

Models MolecularCell Survivalchemistry.chemical_elementAntineoplastic AgentsCrystal structure010402 general chemistry01 natural sciencesRutheniumlaw.inventionInorganic Chemistrychemistry.chemical_compoundlawCoordination ComplexesCell Line TumorAlloysMoleculeHumansCrystallizationChloroformBiological studiesLeukemiaMolecular Structure010405 organic chemistry0104 chemical sciencesRutheniumCrystallographychemistryCrystallizationIsopropylPalladiumPalladium
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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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