Search results for "Neoplastic"

showing 10 items of 2901 documents

Multinuclear Cytotoxic Metallodrugs: Physicochemical Characterization and Biological Properties of Novel Heteronuclear Gold-Titanium Complexes

2011

An unprecedented series of titanocene-gold bi- and trimetallic complexes of the general formula [[(η(5)-C(5)H(5))(μ-η(5):κ(1)-C(5)H(4)(CH(2))(n)PPh(2))TiCl(2)](m)AuCl(x)](q+) (n = 0, 2, or 4; m = 1, x = 1, q = 0 or m = 2, x = 0, q = 1) have been prepared and characterized spectroscopically. The luminescence spectroscopy and photophysics of one of the compounds, [[(η(5)-C(5)H(5))(μ-η(5):κ(1)-C(5)H(4)PPh(2))TiCl(2)](2)Au]PF(6), have been investigated in 2MeTHF solution and in the solid state at 77 and 298 K. Evidence for interfragment interactions based on the comparison of electronic band positions and emission lifetimes, namely, triplet energy transfer (ET) from the Au- to the Ti-containing…

Models MolecularSpectrometry Mass Electrospray IonizationLuminescenceMagnetic Resonance SpectroscopyTransfer Excited-StatesCell SurvivalStereochemistryAntineoplastic AgentsCharge-TransferUnsaturated-HydrocarbonsCrystallography X-RayElectronic-StructuresInorganic ChemistryStructure-Activity Relationshipchemistry.chemical_compoundCell Line TumorOrganometallic CompoundsHumansPhysical and Theoretical ChemistrySpectroscopyGroup 2 organometallic chemistryTitaniumArene-Ruthenium ComplexesX-rayTitanocene dichlorideNuclear magnetic resonance spectroscopyChromophoreTitanocene DichlorideCrystallographychemistryHeteronuclear moleculeAnticancer AgentsSpectrophotometry UltravioletGoldLuminescenceGold(Iii) CompoundsPhotophysical Properties
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Polyamine conjugates of stigmasterol.

2012

Abstract Three new polyamine conjugates with stigmasterol [(3β,22 E )-stigmasta-5,22-dien-3-ol] were synthesized and subjected to basic antimicrobial and cytotoxic tests. The conjugate derived from spermine, (3β,22 E )-stigmasta-5,22-dien-3-yl 4(12-amino-4,9-diaza-dodecylamino)-4-oxobutanoate ( 5c ), displayed considerable antimicrobial activity on Staphylococcus aureus at low concentration (50 μg mL −1 ). The cytotoxic activity was tested on cells of human T-lymfoblastic leukemia (IC 50  = 35.8 ± 10.3 μM ( 5c ) and IC 50  = 35.9 ± 5.7 μM ( 5b )) and normal human fibroblasts (IC 50  = 38.0 ± 2.8 μM ( 5c ) and IC 50  = 45.5 ± 1.9 μM ( 5b )). Conjugate 5a displayed no activity in both tests.

Models MolecularStaphylococcus aureusChemical PhenomenaStereochemistryClinical BiochemistryCarboxylic AcidsMolecular ConformationStigmasterolSpermineAntineoplastic Agentsmedicine.disease_causeBiochemistrychemistry.chemical_compoundEndocrinologyAmideCell Line TumormedicinePolyaminesCytotoxic T cellHumansta116Molecular BiologyPharmacologyStigmasterolDose-Response Relationship DrugOrganic ChemistryAntimicrobialAnti-Bacterial AgentschemistryStaphylococcus aureusDrug DesignPolyamineConjugateSteroids
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Synthesis and antiproliferative activity of new derivatives containing the polycyclic system 5,7:7,13-dimethanopyrazolo[3,4-b]pyrazolo[3’,4’:2,3]azep…

2013

The reaction under reflux between 1-phenyl-3-R-5-methylaminopyrazoles and 2,5-hexanedione lead to 5,7:7,13-dimethanopyrazolo[3,4-b]pyrazolo[3′,4′:2,3]azepino[4,5-f]azocine derivatives 3b–g. These unusual molecules show the structural complexity of many biologically active natural products and are endowed with the chemical diversity that is required in drug discovery. The compounds 3b,e were reduced by hydrogen in the presence of Palladium on activated charcoal to give the dihydro derivatives 5b,e. Compounds 3b–f and 5b,e were selected by the NCI to evaluate their in vitro antiproliferative activity against 60 human cell lines derived from nine clinically isolated cancer types (leukaemia, lu…

Models MolecularStereochemistryAntineoplastic AgentsHL-60 CellsHeterocyclic Compounds 4 or More RingsDephosphorylationchemistry.chemical_compoundStructure-Activity RelationshipCell Line TumorSettore BIO/10 - BiochimicaDrug DiscoverymedicineMoleculeHumansAzocinePolycyclic CompoundsCell ProliferationPharmacologyDose-Response Relationship DrugMolecular StructureDrug discoveryOrganic ChemistryCell CycleCancerBiological activityGeneral MedicineCell cyclemedicine.diseaseSettore CHIM/08 - Chimica FarmaceuticaIn vitrochemistryMCF-7 Cells57:713-dimethanopyrazolo[34-b]pyrazolo[3’4’:23]azepino[45-f]azocine derivatives antiproliferative activity G0-G1 arrest pRbDrug Screening Assays AntitumorK562 Cells
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Substituted 2-(3',4',5'-trimethoxybenzoyl)-benzo[b]thiophene derivatives as potent tubulin polymerization inhibitors.

2010

The central role of microtubules in cell division and mitosis makes them a particularly important target for anticancer agents. On our early publication, we found that a series of 2-(3',4',5'-trimethoxybenzoyl)-3-aminobenzo[b]thiophenes exhibited strong antiproliferative activity in the submicromolar range and significantly arrested cells in the G2-M phase of the cell cycle and induced apoptosis. In order to investigate the importance of the amino group at the 3-position of the benzo[b]thiophene skeleton, the corresponding 3-unsubstituted and methyl derivatives were prepared. A novel series of inhibitors of tubulin polymerization, based on the 2-(3,4,5-trimethoxybenzoyl)-benzo[b]thiophene m…

Models MolecularStereochemistryClinical BiochemistrySubstituentPharmaceutical ScienceAntineoplastic AgentsThiophenesAnisolesBiochemistryArticleAntineoplastic AgentAnisolechemistry.chemical_compoundStructure-Activity RelationshipThiopheneMicrotubuleTubulinTubulin ModulatorCell Line TumorNeoplasmsDrug DiscoveryThiopheneAnimalsHumansMolecular BiologyCell ProliferationbiologyBicyclic moleculeAnimalCell growthTubulin ModulatorsOrganic ChemistryCell CycleTubulin ModulatorsRatsTubulinchemistrybiology.proteinRatNeoplasmMolecular MedicineGrowth inhibitionHumanBioorganicmedicinal chemistry
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N-(INDAZOLYL)BENZAMIDO DERIVATIVES AS CDK1 INHIBITORS: DESIGN, SYNTHESIS, BIOLOGICAL ACTIVITY, AND MOLECULAR DOCKING STUDIES

2009

A series of N-1H-indazole-1-carboxamides has been synthesized and their effects on both CDK1/cyclin B and the K-562 (human chronic myelogenus leukemia) cell line were evaluated. Using a computational model, we have observed that all the most active compounds 9e, f, i-n exhibited the same binding mode of purvanalol A in the ATP-binding cleft. Although they were able to moderately inhibit the leukemic cell line K-562 and to show inhibitory activity against the Cdc2-Cyclin B kinase in the low micromolar range, they turned out to be non-cytotoxic against HuDe (IZSL) primary cell cultures from human derm. These preliminary results are quite encouraging in view of the low toxicity demonstrated by…

Models MolecularStereochemistryCyclin BPharmaceutical ScienceAntineoplastic AgentsCyclin BStructure-Activity RelationshipCDC2 Protein KinaseDrug DiscoveryHumansStructure–activity relationshipCell ProliferationCyclin-dependent kinase 1Binding SitesbiologyCell growthChemistryImidazolesN-(1H-indazolyl)benzamides 1H-indazole-3-carboxamides CDK1 Molecular dockingBiological activitySettore CHIM/08 - Chimica FarmaceuticaBiochemistryDocking (molecular)Cell cultureDrug DesignBenzamidesbiology.proteinDrug Screening Assays AntitumorK562 CellsCDC2 Protein KinaseProtein Binding
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Solvates of Dasatinib: Diversity and Isostructurality

2015

A series of dasatinib crystalline forms were obtained, and a hierarchical cluster analysis of their powder X-ray diffraction patterns was performed. The resulting dendrogram implies 3 structural groups. The crystal structures of several solvates representing 2 of these groups were determined. The crystal structure analysis confirms the isostructurality of solvates within structural group I and suggests a correlation between solvent molecule size and trends in crystal structures within this group. In addition, the formation relationships in 2-solvent media between different dasatinib solvate groups were determined. The formation preference of solvates was found to follow the ranking group I …

Models MolecularStereochemistryGroup iiDasatinibPharmaceutical ScienceAntineoplastic Agents02 engineering and technologyCrystal structure010402 general chemistry01 natural scienceslaw.inventionX-Ray DiffractionlawGroup (periodic table)medicineCluster AnalysisCrystallizationChemistrySolvation021001 nanoscience & nanotechnology0104 chemical sciencesDasatinibCrystallographyX-ray crystallographyCrystallization0210 nano-technologyPowder DiffractionPowder diffractionmedicine.drugJournal of Pharmaceutical Sciences
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Synthesis of C-17-functionalized spongiane diterpenes: diastereoselective synthesis of (-)-spongian-16-oxo-17-al, (-)-acetyldendrillol-1, and (-)-apl…

2003

The diastereoselective synthesis of spongiane diterpenes (-)-spongian-16-oxo-17-al 2, (-)-acetyldendrillol-1 15, and (-)-aplyroseol-14 16 has been completed efficiently via the common intermediate 14. Compound 14 was prepared in five synthetic steps from (+)-podocarp-8(14)-en-13-one 13, easily available from commercial (-)-abietic acid. The key steps in the syntheses were a regioselective reduction of a 1,4-dialdehyde unit, a one-pot acetalization-acetylation, and a translactonization. The synthesis of 15 and 16 has led us to a revision of the configuration at C-17 for natural (-)-acetyldendrillol-1 and a structural reassignment for aplyroseol-14. Thus, aplyroseol-14 16 presents an unpreced…

Models MolecularStereochemistryHerpesvirus 2 HumanMolecular ConformationAntineoplastic AgentsAldehydeChemical synthesisAntiviral AgentsCatalysischemistry.chemical_compoundAb initio quantum chemistry methodsTumor Cells CulturedAnimalsHumansNuclear Magnetic Resonance Biomolecularchemistry.chemical_classificationNatural productMolecular StructureOrganic ChemistryRegioselectivityStereoisomerismPhenanthrenesPoriferachemistryAbietanesIndicators and ReagentsDiterpeneDiterpenesEnoneLactoneHeLa CellsThe Journal of organic chemistry
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Enantiospecific semisynthesis of (+)-almuheptolide-A, a novel natural heptolide inhibitor of the mammalian mitochondrial respiratory chain.

1998

The development of novel styryl lactone derivatives as bioactive compounds and the semisynthesis of both 4,5-dialkoxylated eight-membered-ring lactones with a heptolide skeleton (almuheptolide-A (1) type) and 7-alkoxylated delta-lactones with a saturated furanopyrone skeleton (etharvensin (8) type) have been successfully achieved from the chiral unsaturated alpha-pyrone altholactone (7). This new method is a direct and one-step enantiospecific alkoxylation of altholactone (7) in concentrated acid medium, followed by formation of the eight-membered-ring zeta-lactone. The reaction mechanism operating in the synthesis of the heptolide skeleton is postulated to be a direct Michael-type addition…

Models MolecularStereochemistryRespiratory chainEtherIn Vitro TechniquesMitochondria HeartElectron Transportchemistry.chemical_compoundDrug DiscoveryAnimalsMitochondrial respiratory chain complex INADH NADPH OxidoreductasesEnzyme InhibitorsTetrahydrofuranchemistry.chemical_classificationElectron Transport Complex IStereoisomerismSemisynthesisAntineoplastic Agents PhytogenicKineticsMitochondrial respiratory chainchemistryMolecular MedicineCattleEnantiomerOxidation-ReductionLactoneJournal of medicinal chemistry
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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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An in vitro comparative assessment with a series of new triphenyltin(IV) 2-/4-[(E)-2-(aryl)-1-diazenyl]benzoates endowed with anticancer activities: …

2012

Four new triphenyltin(IV) complexes of composition Ph 3SnLH (where LH = 2-/4-[(E)-2-(aryl)-1-diazenyl]benzoate) (1-4) were synthesized and characterized by spectroscopic ( 1H, 13C and 119Sn NMR, IR, 119Sn Mössbauer) techniques in combination with elemental analysis. The 119Sn NMR spectroscopic data indicate a tetrahedral coordination geometry in non-coordinating solvents. The crystal structures of three complexes, Ph 3SnL 1H (1), Ph 3SnL 3H (3), Ph 3SnL 4H (4), were determined. All display an essentially tetrahedral geometry with angles ranging from 93.50(8) to 124.5(2)°; 119Sn Mössbauer spectral data support this assignment. The cytotoxicity studies were performed with complexes 1-4, along…

Models MolecularTriphenyltin(IV) benzoatesCell SurvivalStereochemistryMolecular ConformationQuantitative Structure-Activity RelationshipAntineoplastic AgentsStereoisomerismCrystal structureCrystallography X-RayBenzoatesBiochemistryInorganic ChemistryAnti-cancer drugInhibitory Concentration 50chemistry.chemical_compoundCell Line TumorOrganotin CompoundsHumansCytotoxicityCoordination geometryQSARHydrogen bondArylTetrahedral molecular geometryHydrogen BondingStereoisomerismBenzoateschemistrySettore CHIM/03 - Chimica Generale E InorganicaCell lineTriphenyltin(IV) 2-/4-[(E)-2-(aryl)-1-diazenyl]benzoateJournal of Inorganic Biochemistry
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