Search results for "Cell proliferation"

showing 10 items of 1056 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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Structural determinants of resveratrol for cell proliferation inhibition potency: experimental and docking studies of new analogs.

2010

International audience; Resveratrol is the subject of intense research because of the abundance of this compound in the human diet and as one of the most valuable natural chemopreventive agents. Further advances require new resveratrol analogs be used to identify the structural determinants of resveratrol for the inhibition potency of cell proliferation by comparing experimental and docking studies. Therefore, we synthesized new trans/(E)- and cis/(Z)-resveratrol - analogs not reported to date - by modifying the hydroxylation pattern of resveratrol and a double bond geometry. We included them in a larger panel of 14 molecules, including (Z)-3,5,4'-trimethoxystilbene, the most powerful molec…

Models MolecularMESH : HydroxidesMESH : DNAMESH: Cell CycleMESH: TubulinResveratrolHydroxylationchemistry.chemical_compound0302 clinical medicineTubulinMESH: StilbenesDrug DiscoveryStilbenesHydroxidesMESH : Cell ProliferationDocking studiesMESH : Colchicine0303 health sciencesCell CycleMESH: DNAStereoisomerismGeneral MedicineMESH : TubulinMESH: Hydroxides3. Good healthColon cancerBiochemistryMESH : Stereoisomerism030220 oncology & carcinogenesisMESH: Models MolecularMESH: Cell Line TumorStereochemistryMESH : Models MolecularStereoisomerismMESH : Stilbenes03 medical and health sciencesCell Line TumorMESH: Cell ProliferationMESH : Cell Cycle[SDV.BBM] Life Sciences [q-bio]/Biochemistry Molecular BiologyHumans[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular BiologyBinding site[ SDV.BBM ] Life Sciences [q-bio]/Biochemistry Molecular BiologyTubulin polymerization030304 developmental biologyCell ProliferationPharmacologyCombretastatinBinding SitesMESH: HumansCell growthMESH : Cell Line TumorOrganic ChemistryMESH : HumansDNAMESH: StereoisomerismMESH: ColchicinechemistryPolymethoxy-stilbenesMESH: Binding SitesDocking (molecular)Cell cultureResveratrolResveratrol; Polymethoxy-stilbenes; Tubulin polymerization; Colon cancer; Docking studiesColchicineMESH : Binding Sites
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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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Indicaxanthin, a multi-target natural compound from Opuntia ficus-indica fruit: From its poly-pharmacological effects to biochemical mechanisms and m…

2019

Abstract Over the latest years phytochemical consumption has been associated to a decreased risk of both the onset and the development of a number of pathological conditions. In this context indicaxanthin, a betalain pigment from Opuntia ficus-indica fruit, has been the object of sound research. Explored, at first, for its mere antioxidant potential, Indicaxanthin is now regarded as a redox-active compound able to exert significant poly-pharmacological effects against several targets in a number of experimental conditions both in vivo and in vitro. This paper aims to provide an overview on the therapeutical effects of indicaxanthin, ranging from the anti-inflammatory to the neuro-modulatory…

Models MolecularPyridinesOpuntia ficusPhytochemicalsContext (language use)Antioxidant potential01 natural sciencesMiceStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundMulti targetCell Line TumorNeoplasmsSettore BIO/10 - BiochimicaBetalainDrug DiscoveryAnimalsHumansCell Proliferation030304 developmental biologyInflammationIndicaxanthin Multi-target compound Poly-pharmacology Antioxidant Antiinflammatory Antitumoral Antiproliferative Neuromodulator Molecular modellingPharmacologyBiological Products0303 health sciencesDose-Response Relationship DrugMolecular StructureTraditional medicine010405 organic chemistryNatural compoundOrganic ChemistryOpuntiaGeneral MedicineAntineoplastic Agents PhytogenicSettore CHIM/08 - Chimica FarmaceuticaBetaxanthins0104 chemical sciencesMice Inbred C57BLNeuroprotective AgentsPhytochemicalchemistryBlood-Brain BarrierFruitDrug Screening Assays AntitumorIndicaxanthinEuropean Journal of Medicinal Chemistry
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Design and Synthesis of 4-Substituted Indolo[3,2-e][1,2,3]triazolo[1,5-a]pyrimidine Derivatives with Antitumor Activity

2008

New derivatives of the indolo[3,2- e][1,2,3]triazolo[1,5- a]pyrimidine system, substituted in the 4 position, were designed as novel antitumor agents because of their theoretical capability to form stable complexes with DNA fragments. The calculated free energies of binding were found in the range -12.76 --> -39.68 Kcal/mol. The docking studies revealed a common binding mode with the chromophore intercalated between GC base pairs, whereas the side chain lies along the minor groove. Compounds, selected on the basis of the docking studies and suitably synthesized, showed antiproliferative activity against each type of tumor cell line investigated, generally in the low micromolar range. The mo…

Models MolecularSEQUENCE SPECIFICITYMolecular modelPyrimidineStereochemistryDNA-BINDINGBIOLOGICAL INTERESTStereoisomerismAntineoplastic AgentsPyrimidinonesChemical synthesisHeterocyclic Compounds 4 or More RingsAUTOMATED DOCKINGchemistry.chemical_compoundStructure-Activity RelationshipCell Line TumorDrug DiscoveryStructure–activity relationshipHumansALGORITHMBinding siteCell ProliferationBinding SitesMolecular StructureChemistryBiological activityStereoisomerismDOMINO REACTIONDNADocking (molecular)Drug DesignNATIONAL-CANCER-INSTITUTEACTINOMYCIN-DMolecular MedicineCOMPLEXESDrug Screening Assays AntitumorTUMOR-CELL-LINES
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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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A novel caryophyllene type sesquiterpene lactone from Asparagus falcatus (Linn.); Structure elucidation and anti-angiogenic activity on HUVECs

2011

Abstract In this study the novel caryophyllene type sesquiterpene lactone (aspfalcolide) has been isolated from the leaves of Asparagus falcatus (Linn.) and characterized by IR, 1D NMR, 2D NMR, EI–MS, HR–ESI–MS and X-ray single crystal diffraction analysis. The aspfalcolide crystallizes in the orthorhombic space group P212121 with a = 6.37360(10), b = 7.6890(2), c = 27.3281(6) A, α = β = γ = 90° and Z = 4. One intermolecular O–H⋯O hydrogen bond enforces these natural molecules to form infinite chains through the crystal. Aspfalcolide was screened for its anti-angiogenic activity in human umbilical vein endothelial cells (HUVECs) and the result showed the remarkable inhibitory effect of aspf…

Models MolecularVascular Endothelial Growth Factor AStereochemistryMolecular ConformationAngiogenesis InhibitorsSesquiterpene lactoneUmbilical veinLactoneschemistry.chemical_compoundCell MovementDrug DiscoveryHuman Umbilical Vein Endothelial CellsHumansta116Cell ProliferationAsparagus falcatusPolycyclic SesquiterpenesPharmacologychemistry.chemical_classificationTube formationbiologyHydrogen bondCaryophylleneOrganic ChemistryGeneral Medicinebiology.organism_classificationchemistryOrthorhombic crystal systemAsparagus PlantSesquiterpenesTwo-dimensional nuclear magnetic resonance spectroscopyEuropean Journal of Medicinal Chemistry
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