Search results for "DISCOVERY"

showing 10 items of 4119 documents

Synthesis of novel WAY 100635 derivatives containing a norbornene group and radiofluorination of [18F]AH1.MZ as a serotonin 5-HT1Areceptor antagonist…

2009

5-HT1A receptors are involved in a variety of psychiatric disorders and in vivo molecular imaging of the 5-HT1A status represents an important approach to analyze and treat these disorders. We report herein the synthesis of three new fluoroethylated 5-HT1A ligands (AH1.MZ, AH2.MZ and AH3.MZ) as arylpiperazine derivatives containing a norbornene group. AH1.MZ (Ki= 4.2 nM) and AH2.MZ (Ki=30 nM) showed reasonable in vitro affinities to the 5-HT1A receptor, whereas AH3.MZ appeared to be non-affine toward the 5-HT1A receptor. The receptor profile of AH1.MZ and AH2.MZ showed selectivity within the 5-HT system. 18F-labelling via [18F]FETos to [18F]AH1.MZ was carried out in radiochemical yields of …

StereochemistryOrganic ChemistryRadiosynthesisSynthonBiochemistryHigh-performance liquid chromatographyChemical synthesisAnalytical Chemistrychemistry.chemical_compoundchemistryDrug Discovery5-HT1A receptorRadiology Nuclear Medicine and imagingReceptorImideSpectroscopyNorborneneJournal of Labelled Compounds and Radiopharmaceuticals
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The first example of natural cyclic carbonate in terpenoids

2006

Abstract The first natural occurring cyclic carbonate terpenoid, the guaianolide hololeucin ( 1 ), was isolated from the aerial part of Centaurea hololeuca . Its structure was elucidated on the basis of extensive proton, 13 C and two-dimensional NMR experiments, as well as by transformation in its diacetyl derivative.

StereochemistryOrganic ChemistrySESQUITERPENE LACTONESBiochemistryDiacetylTerpenoidGUAIANOLIDESchemistry.chemical_compoundchemistryDrug DiscoveryOrganic chemistryCarbonateCONSTITUENTSDerivative (chemistry)Tetrahedron Letters
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Aerobic epoxidation of olefins catalysed by square-planar cobalt(III) complexes of bis-N,N′-disubstituted oxamides and related ligands

1997

The new square-planar nickel(II) complexes of o-phenylenebis(N′-methyloxamidate) and related ligands catalyse the aerobic epoxidation of olefins with co-oxidation of pivalaldehyde; the modulation of catalytic activity by substituents along this series of metal complexes points out the role of high-valent nicke(IV)-oxo species as the putative intermediate in these oxygen atom transfer reactions.

StereochemistryOrganic Chemistrychemistry.chemical_elementBiochemistryMedicinal chemistryCatalysisMetalNickelOxygen atomchemistryvisual_artDrug Discoveryvisual_art.visual_art_mediumCobaltTetrahedron Letters
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Pertosylated polyaza[n](9,10)anthracenophanes

1997

Abstract Pertosylated polyaza[n](9,10)antracenophanes have been obtained in high yields by a modification of the Richman-Atkins methodology. Molecular Mechanics calculations as well as the crystal structure of the N,N′,N″,N‴-Tetratosyl-2,6,9,13-tetraaza[14](9,10)anthracenophane 4 derivative reveal the existence of a well defined cavity where both the aromatic moiety and the nitrogen donor atoms converge. Reduced mobility of the aliphatic chain is also observed as well as the presence of some strain at the benzylic positions.

StereochemistryOrganic Chemistrychemistry.chemical_elementReduced mobilityCrystal structureBiochemistryNitrogenchemistry.chemical_compoundCrystallographychemistryChain (algebraic topology)Drug DiscoveryAromatic moietyDerivative (chemistry)Tetrahedron
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Synthesis and preliminary antibacterial evaluation of Linezolid-like 1,2,4-oxadiazole derivatives

2012

In the present study the synthesis of new Linezolid-like molecules has been achieved by substitution of the oxazolidinone central heterocyclic moiety with a 1,2,4-oxadiazole ring. Two series of 1,2,4-oxadiazoles, bearing different side-chains and containing a varying number of fluorine atoms, were synthesized and preliminarily tested for biological activity against some Gram-positive and Gram-negative bacteria using Linezolid and Ceftriaxone as reference drugs

StereochemistryOxadiazoleMicrobial Sensitivity TestsAntimicrobial activityRing (chemistry)Oxazolidinone 124-Oxadiazole Linezolid Antimicrobial activity Fluorinated heterocyclesStructure-Activity Relationshipchemistry.chemical_compoundFluorinated heterocyclesAcetamidesDrug DiscoveryMoleculeMoiety124-OxadiazoleOxazolidinonesPharmacologyBacteriaMolecular StructureCeftriaxoneOrganic ChemistryLinezolidBiological activitySettore CHIM/06 - Chimica OrganicaGeneral MedicineSettore CHIM/08 - Chimica FarmaceuticaOxazolidinoneAnti-Bacterial AgentschemistryMED/07 - MICROBIOLOGIA E MICROBIOLOGIA CLINICALinezolid
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Terphenyl Derivatives from Allantophomopsis lycopodina.

2016

Three secondary fungal metabolites 1–3 with a benzo[b]naphtho[2,1-d]furan skeleton were isolated from submerged cultures of the ascomycete Allantophomopsis lycopodina. The NMR-based structure elucidation was challenging due to a low H/C ratio of only 0.64 and 0.68, respectively. NMR measurements in two different solvents and the use of NMR experiments such as HSQC-TOCSY and LR-HSQMBC proved to be helpful in this respect. The proposed structures obtained from the comprehensive analysis of the NMR data were verified by comparison of recorded and computed NMR chemical shifts from quantum chemical calculations of several constitutional isomers and were further analyzed with the aid of the DP4 a…

StereochemistryPharmaceutical ScienceAllantophomopsis lycopodina010402 general chemistry01 natural sciencesAnalytical Chemistrychemistry.chemical_compoundAscomycotaComputational chemistryTerphenylFuranTerphenyl CompoundsDrug DiscoveryStructural isomerNuclear Magnetic Resonance BiomolecularPharmacologyQuantum chemicalMolecular Structure010405 organic chemistryChemical shiftOrganic ChemistryNmr data0104 chemical sciencesComplementary and alternative medicinechemistryMolecular MedicineJournal of natural products
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Antiproliferative properties and g-quadruplex-binding of symmetrical naphtho[1,2-b:8,7-b’]dithiophene derivatives

2021

Background: G-quadruplex (G4) forming sequences are recurrent in telomeres and promoter regions of several protooncogenes. In normal cells, the transient arrangements of DNA in G-tetrads may regulate replication, transcription, and translation processes. Tumors are characterized by uncontrolled cell growth and tissue invasiveness and some of them are possibly mediated by gene expression involving G-quadruplexes. The stabilization of G-quadruplex sequences with small molecules is considered a promising strategy in anticancer targeted therapy. Methods: Molecular virtual screening allowed us identifying novel symmetric bifunctionalized naphtho[1,2-b:8,7-b’]dithiophene ligands as interesting ca…

StereochemistryPharmaceutical ScienceAntineoplastic AgentsNaphthols010402 general chemistryG-quadruplex01 natural sciencesArticleAnalytical ChemistryHeLaProto-Oncogene Proteins c-mycchemistry.chemical_compoundSynthesisQD241-441Transcription (biology)H-TeloG-QuadruplexDrug DiscoveryC-MYCHumansheterocyclic compoundsPhysical and Theoretical ChemistryAntiproliferative effect; C-MYC; G-Quadruplex; H-Telo; Molecular docking; Planar heterocyclic scaffold; SynthesisCell ProliferationAntiproliferative effectVirtual screeningbiology010405 organic chemistryCell growthChemistryCytotoxinsOrganic Chemistrybiology.organism_classificationSmall moleculeSettore CHIM/08 - Chimica FarmaceuticaIn vitro0104 chemical sciencesG-QuadruplexesPlanar heterocyclic scaffoldChemistry (miscellaneous)Settore CHIM/03 - Chimica Generale E InorganicaMolecular dockingMolecular MedicineDNAHeLa Cells
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Phytochemical Profile and Apoptotic Activity of Onopordum cynarocephalum.

2012

A phytochemical investigation of acetone and chloroform extracts of the aerial parts of Onopordum cynarocephalum Boiss. et Blanche was carried out. It led to the isolation of two new sesquiterpenes, the elemane aldehyde (2) and the eudesmane (11), together with 15 known compounds: two lignans (1 and 15) and 13 sesquiterpenes (3–10, 12–14, 16, 17). The structures were elucidated by spectroscopic analyses, especially 1D and 2D NMR spectra. The anti-growth effect against three human melanoma cell lines, M14, A375, and A2058, of the different extracts and compounds of O. cynarocephalum was also investigated. Among them, the chloroform extract exhibited the strongest biological activity, while t…

StereochemistryPharmaceutical ScienceApoptosisDNA FragmentationLignansAnalytical Chemistrychemistry.chemical_compoundInhibitory Concentration 50cytotoxic activity Onopordum cynarocephalum Boiss. et BlancheCell Line TumorDrug DiscoveryHumansSesquiterpenes EudesmaneHSP70 Heat-Shock ProteinsFuransArctigeninCell ProliferationPharmacologyLignanChloroformPlants MedicinalbiologyDose-Response Relationship DrugMolecular StructureCaspase 3Plant ExtractsOrganic ChemistryOnopordumPTEN PhosphohydrolaseBiological activityPlant Components AerialAntineoplastic Agents PhytogenicEnzyme assayMonocyclic SesquiterpenesComplementary and alternative medicinePhytochemicalchemistryApoptosisbiology.proteinMolecular MedicineDNA fragmentationSesquiterpenes
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Cytotoxicity and modes of action of four naturally occuring benzophenones: 2,2′,5,6′-Tetrahydroxybenzophenone, guttiferone E, isogarcinol and isoxant…

2012

Abstract Introduction The emergence of drug-resistant cancer cells drastically reduces the efficacy of many antineoplasic agents and, consequently, increases the frequency of therapeutic failure. Benzophenones are known to display many pharmacological properties including cytotoxic activities. The present study was aimed at investigating the cytotoxicity and the modes of action of four naturally occurring benzophenones 2,2′,5,6′-tetrahydroxybenzophenone ( 1 ), isogarcinol ( 2 ), isoxanthochymol ( 3 ) and guttiferone E ( 4 ) on a panel of eleven cancer cell lines including various sensitive and drug-resistant phenotypes. Methods The cytotoxicity of the compounds was determined using a resazu…

StereochemistryPharmaceutical ScienceApoptosisHL-60 CellsPharmacologyCaspase 8BenzophenonesInhibitory Concentration 50NeoplasmsDrug DiscoveryHumansCytotoxic T cellCytotoxicityCaspaseCell ProliferationPharmacologyCaspase-9LeukemiabiologyPlant ExtractsChemistryCarcinomaHCT116 CellsAntineoplastic Agents PhytogenicMatrix MetalloproteinasesPhenotypeComplementary and alternative medicineDoxorubicinDrug Resistance NeoplasmApoptosisCell cultureCaspasesColonic NeoplasmsCancer cellbiology.proteinMolecular MedicineReactive Oxygen SpeciesPhytotherapyPhytomedicine
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Stereoselective Synthesis of (+)-11βH,13-Dihydroestafiatin, (+)-11βH,13-Dihydroludartin, (−)-Compressanolide, and (−)-11βH,13-Dihydromicheliolide fro…

2002

Starting from 2 and 3, obtained from santonin (1), we have synthesized natural guaianolides 4-7. Chemoselective epoxidation of 2 gave (+)-11betaH,13-dihydroestafiatin (4), and epoxidation of 3 followed by regioselective elimination of the hydroxyl group afforded (+)-11betaH,13-dihydroludartin (5). Sharpless' mild regioselective ring-opening of 4 and 5 followed by hydrogenolysis yielded (-)-compressanolide (6) and (-)-11betaH,13-dihydromicheliolide (7), respectively.

StereochemistryPharmaceutical ScienceChemical synthesisCatalysisAnalytical ChemistryLactoneschemistry.chemical_compoundHydrogenolysisDrug DiscoveryChemoselectivityNuclear Magnetic Resonance BiomolecularBond cleavageSantoninPharmacologychemistry.chemical_classificationMolecular StructureChemistryOrganic ChemistryRegioselectivityStereoisomerismComplementary and alternative medicineCyclizationMolecular MedicineStereoselectivitySantoninLactoneJournal of Natural Products
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