Search results for "PROLIFERATION"

showing 10 items of 1193 documents

Synthesis, Structural Elucidation, and Biological Evaluation of NSC12, an Orally Available Fibroblast Growth Factor (FGF) Ligand Trap for the Treatme…

2016

NSC12 is an orally available pan-FGF trap able to inhibit FGF2/FGFR interaction and endowed with promising antitumor activity. It was identified by virtual screening from a NCI small molecule library, but no data were available about its synthesis, stereochemistry, and physicochemical properties. We report here a synthetic route that allowed us to characterize and unambiguously identify the structure of the active compound by a combination of NMR spectroscopy and in silico conformational analysis. The synthetic protocol allowed us to sustain experiments aimed at assessing its therapeutic potential for the treatment of FGF-dependent lung cancers. A crucial step in the synthesis generated a c…

Models Molecular0301 basic medicineLung NeoplasmssynthesisFGF Lung cancer growth factor chemical characterization synthesisIn silicoAdministration OralAntineoplastic AgentsPharmacologyFibroblast growth factorMiceStructure-Activity Relationship03 medical and health sciences0302 clinical medicineIn vivoDrug DiscoveryTumor Cells CulturedAnimalsHumansFGFStructure–activity relationshipCell ProliferationDose-Response Relationship DrugMolecular Structurechemical characterizationCell growthChemistrygrowth factorLigand (biochemistry)Small moleculeCell biologyFibroblast Growth FactorsCholesterol030104 developmental biologyFibroblast growth factor receptor030220 oncology & carcinogenesisMolecular MedicineDrug Screening Assays AntitumorLung cancerJournal of Medicinal Chemistry
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Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles

2021

Unlike the closely related and widely investigated amidino-substituted benzimidazoles and benzothiazoles with a range of demonstrated biological activities, the matching benzoxazole analogues still remain a largely understudied and not systematically evaluated class of compounds. To address this challenge, we utilized the Pinner reaction to convert isomeric cyano-substituted 2- aminophenols into their amidine derivatives, which were isolated as hydrochlorides and/or zwitterions, and whose structure was confirmed by single crystal X-ray diffraction. The key step during the Pinner synthesis of the crucial carboximidate intermediates was characterized through mechanistic DFT calculations, with…

Models MolecularAmidinesAntineoplastic AgentsAminophenolsCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryAmidinechemistry.chemical_compoundCell Line TumorHumansPinner reactionPhysical and Theoretical ChemistryDensity Functional TheoryCell ProliferationBenzoxazolesMolecular Structurebenzoxazoles ; amidino-functionalization ; Pinner reaction ; organic synthesis ; X-ray analysis ; antiproliferative activity ; DFT calculations010405 organic chemistryArylOrganic ChemistryBiological activityBenzoxazoleCondensation reactionCombinatorial chemistry0104 chemical sciences3. Good healthCarboximidatechemistrySurface modificationDrug Screening Assays AntitumorOrganic & Biomolecular Chemistry
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Investigation of new 2-aryl substituted Benzothiopyrano[4,3-d[pyrimidines as kinase inhibitors targeting vascular endothelial growth factor receptor 2

2015

Vascular Endothelial Growth Factor (VEGF) pathway has emerged as one of the most important positive modulators of Angiogenesis, a central process implicated in tumour growth and metastatic dissemination. This led to the design and development of anti-VEGF monoclonal antibodies and small-molecule ATP-competitive VEGFR-inhibitors. In this study, we describe the synthesis and the biological evaluation of novel 2-aryl substituted benzothiopyrano-fused pyrimidines 1a-i, 2a-i and 3a-i. The ability of the compounds to target the VEGF pathway was determined in vitro exploiting the compounds' antiproliferative efficacy against HUVEC cells. The VEGFR-2 inhibition was confirmed by enzymatic assays on …

Models MolecularAngiogenesisReceptor tyrosine kinaseCellAntineoplastic AgentsReceptor tyrosine kinaseBenzothiopyranopirimidines; Kinase inhibitors; Receptor tyrosine kinases; Tumor angiogenesis; VEGFR;Tumor angiogenesisStructure-Activity Relationshipchemistry.chemical_compoundVEGFRBenzothiopyranopirimidineCell Line TumorReceptor tyrosine kinasesDrug DiscoveryHuman Umbilical Vein Endothelial CellsmedicineHumansProtein Kinase InhibitorsCell ProliferationPyransTumor angiogenesiPharmacologyKinase inhibitorDose-Response Relationship DrugMolecular StructurebiologyKinaseCell growthOrganic ChemistryKinase insert domain receptorGeneral MedicineVascular Endothelial Growth Factor Receptor-2Molecular biologyVascular endothelial growth factorPyrimidinesmedicine.anatomical_structureBenzothiopyranopirimidineschemistryBenzothiopyranopirimidines; Kinase inhibitors; Receptor tyrosine kinases; Tumor angiogenesis; VEGFRKinase inhibitorsCancer researchbiology.proteinDrug Screening Assays AntitumorEx vivo
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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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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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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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