0000000000612602

AUTHOR

Annalisa Guarcello

showing 37 related works from this author

Study of Reactivity in the 1,3-Dipolar Cycloaddition Reactions Leading to New Triazolopyrrolopyrazine Ring Systems

2010

The influence of the structural symmetry of the 2-pi double-reactive-sites component in the 1,3-dipolar cycloaddition reactions, involving nitrilimines as dipoles, was investigated. the experimental data showed that the loss of the symmetry leads to the formation of the monocycloadduct in good yields.

Dipole13-Dipolar Cycloaddition Reactions Triazolopyrrolopyrazine Ring SystemsChemistryOrganic Chemistry13-Dipolar cycloadditionStructural symmetryReactivity (chemistry)Ring (chemistry)PhotochemistrySettore CHIM/08 - Chimica FarmaceuticaSymmetry (physics)CycloadditionSynlett
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In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents

2012

Abstract Parasitic diseases caused by protozoarian agents are still relevant today more than ever. Recently, we synthesized several polycondensed diazine derivatives by means 1,3-dipolar cycloaddition reactions. A broad selection of these compounds were submitted to in vitro biological screening against Plasmodium falciparum , Leishmania infantum , Trypanosoma brucei , and Trypanosoma cruzi , resulting active at micromolar level. Induced Fit Docking/MM-GBSA studies were performed giving interesting indications about the probable mechanism of action of the most active compounds

Models MolecularTrypanosoma cruziIn silicoPlasmodium falciparumTrypanosoma brucei bruceiClinical BiochemistryPharmaceutical ScienceTrypanosoma bruceiBiochemistryStructure-Activity Relationshipchemistry.chemical_compoundParasitic Sensitivity Testsparasitic diseasesDrug DiscoveryLeishmania infantumTrypanosoma cruziMolecular BiologyDiazineAntiparasitic AgentsDose-Response Relationship DrugMolecular StructurebiologyOrganic ChemistryPlasmodium falciparumAnti-parasitic Plasmodium Leishmania Trypanosoma Diazine Induced fit docking/MM-GBSAbiology.organism_classificationSettore CHIM/08 - Chimica FarmaceuticaHydrazineschemistryBiochemistryDocking (molecular)TrypanosomaMolecular MedicineLeishmania infantumBioorganic & Medicinal Chemistry Letters
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Bis-1,2,4-triazolo[4,3-a:3′,4′-c]quinoxalines of pharmaceutical interest from 1,3-dipolar cycloaddition

2008

Abstract Various derivatives of the heterocyclic system 1,12,12a,12b-tetrahydrobis-1,2,4-triazolo[4,3-a:3′,4′-c]quinoxaline of pharmaceutical interest have been obtained by double site- and regio-selective 1,3-dipolar cycloaddition of arylnitrilimines to quinoxalines. No evidence for the formation of mono-adducts was obtained, at variance with literature reports. Specific studies to establish the exact stereochemistry of the bis-cycloadducts were undertaken.

Organic ChemistrySettore CHIM/06 - Chimica OrganicanitriliminesSettore CHIM/08 - Chimica FarmaceuticaBiochemistryCycloadditionchemistry.chemical_compoundQuinoxalinechemistryComputational chemistry13-dipolar cycloadditionquinoxalineDrug Discovery13-Dipolar cycloadditionOrganic chemistryTetrahedron Letters
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New linezolid-like 1,2,4-oxadiazoles active against Gram-positive multiresistant pathogens

2013

The synthesis and the in vitro antibacterial activity of novel linezolid-like oxadiazoles are reported. Replacement of the linezolid morpholine C-ring with 1,2,4-oxadiazole results in an antibacterial activity against Staphylococcus aureus both methicillin-susceptible and methicillin-resistant comparable or even superior to that of linezolid. While acetamidomethyl or thioacetoamidomethyl moieties in the C(5) side-chain are required, fluorination of the phenyl B ring exhibits a slight effect on an antibacterial activity but its presence seems to reduce the compounds cytotoxicity. Molecular modeling performed using two different approaches - FLAP and Amber software - shows that in the binding…

Methicillin-Resistant Staphylococcus aureusModels MolecularCell viabilityStaphylococcus aureusMolecular modelCell SurvivalMicrobial Sensitivity TestsAntimicrobial activityCrystallography X-Raymedicine.disease_causeDrug designMicrobiologyStructure-Activity Relationshipchemistry.chemical_compoundoxadiazoles linezolid antibioticsCell Line TumorDrug Resistance Multiple BacterialMorpholineAcetamidesDrug DiscoverymedicineHumansMoietyStructure–activity relationshipOxazolidinonesPharmacologyOxadiazolesOxazolidinones; Linezolid; Drug designDose-Response Relationship DrugMolecular StructureChemistryOrganic ChemistryLinezolidSettore CHIM/06 - Chimica OrganicaHep G2 CellsGeneral Medicinebiochemical phenomena metabolism and nutritionbacterial infections and mycosesSettore CHIM/08 - Chimica FarmaceuticaMethicillin-resistant Staphylococcus aureusCombinatorial chemistryOxazolidinoneAnti-Bacterial AgentsStaphylococcus aureusMED/07 - MICROBIOLOGIA E MICROBIOLOGIA CLINICALinezolidAntimicrobial activity; Cell viability; Drug design; Oxazolidinones; Staphylococcus aureusAntibacterial activitySoftware
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Synthesis and chemical characterization of CuII, NiII and ZnII complexes of 3,5-bis(2′-pyridyl)-1,2,4-oxadiazole and 3-(2′-pyridyl)5-(phenyl)-1,2,4-o…

2011

Abstract The synthesis and structural characterization of Ni II , Cu II and Zn II complexes of two chelating 1,2,4-oxadiazole ligands, namely 3,5-bis(2′-pyridyl)-1,2,4-oxadiazole (bipyOXA) and 3-(2′-pyridyl)5-(phenyl)-1,2,4-oxadiazole (pyOXA), is here reported. The formed hexacoordinated metal complexes are [M(bipyOXA) 2 (H 2 O) 2 ](ClO 4 ) 2 and [M(pyOXA) 2 (ClO 4 ) 2 ], respectively (M = Ni, Cu, Zn). X-ray crystallography, 1 H and 13 C NMR spectroscopy and C, N, H elemental analysis data concord in attributing them an octahedral coordination geometry. The two coordinated pyOXA ligands assume a trans coplanar disposition, while the two bipyOXA ligands are not. The latter result is a possib…

Ligand field theoryStereochemistryOxadiazoleCrystal structureCarbon-13 NMRInorganic ChemistryNMR spectra databasechemistry.chemical_compoundCrystallographychemistryPyridineMaterials ChemistryMoleculePhysical and Theoretical ChemistryCoordination geometryInorganica Chimica Acta
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Synthesis, characterization, cellular uptake and interaction with native DNA of a bis(pyridyl)-1,2,4-oxadiazole copper(II) complex

2010

The copper(II) complex of 3,5-bis(2'-pyridyl)-1,2,4-oxadiazole was synthesized and characterized. X-Ray crystallography revealed that the complex consists of a discrete [Cu(3,5-bis(2'-pyridyl)-1,2,4-oxadiazole)(2)(H(2)O)(2)](2+) cation and two ClO(4)(-) anions. The Cu(II) coordination sphere has a distorted octahedral geometry and each ligand chelates the copper ion through the N(4) nitrogen of the oxadiazole ring and the nitrogen of one pyridine moiety. The coordinated water molecules are in cis position and each of them is H-bonded to the 5-pyridyl nitrogen of the oxadiazole ligand and to an oxygen of the perchlorate anion. Biological assays showed that, despite the free ligand not being …

Models MolecularCircular dichroismCoordination sphereheterocylces metal complex DNA binders anti-tumoralsCell SurvivalPyridinesStereochemistrychemistry.chemical_elementOxadiazoleLigandsInorganic Chemistrychemistry.chemical_compoundPerchlorateCell Line TumorOctahedral molecular geometryOrganometallic CompoundsHumansOxadiazolesChemistryLigandDNASettore CHIM/06 - Chimica OrganicaCopperBinding constantCrystallographySettore CHIM/03 - Chimica Generale E InorganicaCopper
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Synthesis of fluorinated oxadiazoles with gelation and oxygen storage ability

2012

A new family of fluorinated low molecular weight (LMW) gelators has been synthesized through SNAr substitution of 5-polyfluoroaryl-3-perfluoroheptyl-1,2,4-oxadiazoles with glycine ester. The obtained compounds give thermal and pH-sensitive hydrogels or thermo-reversible organogels in DMSO. Oxygen solubility studies showed the ability to maintain high oxygen levels in solution and in gel blend with plate counter agar (PCA).

HalogenationOxygen storageGlycinechemistry.chemical_elementBiochemistryPhase TransitionNucleophilic aromatic substitutionOrganic chemistryDimethyl SulfoxidePhysical and Theoretical ChemistrySolubilityOxadiazolesHydrogen bondChemistryOrganic ChemistryHalogenationEstersHydrogen BondingFluorineSettore CHIM/06 - Chimica OrganicaHydrogen-Ion ConcentrationMolecular WeightOxygenSolubilityGlycineSelf-healing hydrogelsFluorineMicroscopy Electron Scanninglow molecular weight gelators(LMWG) oxadiazoles fluorinated compounds oxgyen carriersThermodynamicsGels
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Synthesis of Isoxazoline Derivatives through Boulton-Katritzky Rearrangement of 1,2,4-Oxadiazoles

2013

The base-induced rearrangement of 1,2,4-oxadiazoles into isoxazoline derivatives is reported. This represents the first example of a three-atom side-chain rearrangement that involves a saturated CCO side chain at C-3 of the oxadiazole. Nonaromatic 3-amino-isoxazoline derivatives are obtained in good yields. Interestingly, this reaction occurs through the rearrangement of aromatic oxadiazoles to form less stable bonds than those that are broken.

chemistry.chemical_compoundChemistryStereochemistryOrganic ChemistrySide chainOxadiazoleAromaticityPhysical and Theoretical ChemistrySigmatropic reactionCarroll rearrangementCope rearrangementEuropean Journal of Organic Chemistry
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ChemInform Abstract: Synthesis of Isoxazoline Derivatives Through Boulton-Katritzky Rearrangement of 1,2,4-Oxadiazoles.

2013

This is the first report of the rearrangement of 1,2,4-oxadiazole with saturated C—C—O side chains and an unusual example of an irreversible rearrangement that allows the formation of nonaromatic heterocycles.

ChemistrySide chainGeneral MedicineMedicinal chemistryChemInform
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New potent antibacterials against Gram-positive multiresistant pathogens: effects of side chain modification and chirality in linezolid-like 1,2,4-ox…

2014

The effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles have been studied to design new potent antibacterials against Gram-positive multidrug-resistant pathogens. The adopted strategy involved a molecular modelling approach, the synthesis and biological evaluation of new designed compounds, enantiomers separation and absolute configuration assignment. Experimental determination of the antibacterial activity of the designed (S)-1-((3-(4-(3-methyl-1,2,4-oxadiazol-5- yl)phenyl)-oxazolidin-2-one-5-yl)methyl)-3-methylthiourea and (S)-1-((3-(3-fluoro-4-(3-methyl-1,2,4- oxadiazol-5-yl)phenyl)-oxazolidin-2-one-5-yl)methyl)-3-methylthiourea against multidrug resistan…

Multidrug-resistant bacteriaClinical BiochemistryAntibioticsDrug ResistanceMolecular ConformationPharmaceutical ScienceBiochemistrychemistry.chemical_compoundAntibioticsDrug Resistance Multiple BacterialDrug DiscoveryAcetamidesSide chainOxadiazolesAbsolute configurationBacterialStereoisomerismHep G2 CellsBIO/10 - BIOCHIMICA23SAnti-Bacterial AgentsMolecular Docking SimulationRNA Ribosomal 23SDrug design Linezolid Antibiotics Multidrug-resistant bacteria EnantiomersMolecular MedicineAntibacterial activityMultipleMethicillin-Resistant Staphylococcus aureusStaphylococcus aureusmedicine.drug_classStereochemistryCell SurvivalMicrobial Sensitivity TestsGram-Positive BacteriaDrug designmedicineHumansMolecular BiologyOxazolidinonesRibosomalBinding SitesOrganic ChemistryAntibioticLinezolidSettore CHIM/06 - Chimica OrganicaSettore CHIM/08 - Chimica FarmaceuticaMultiple drug resistancechemistryEnantiomersMED/07 - MICROBIOLOGIA E MICROBIOLOGIA CLINICALinezolidRNANucleic Acid ConformationEnantiomerChirality (chemistry)Bioorganicmedicinal chemistry
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Reactivity of asymmetric benzo-condensed diazines with nitrilimine dipoles in the 1,3-dipolar cycloaddition reactions

2009

The reactivity of asymmetric benzo-condensed diazines in the 1,3-dipolar cycloaddition reactions with nitrilimines was investigated. The results demonstrated that, at variance with the symmetric quinoxaline, a certain grade of diastereoselectivity emerged. Moreover in the case of the 5-methylquinoxaline and quinazoline a mono-cycloadduct was obtained.

nitrilimine dipoleChemistryNitrilimine13-dipolar cycloaddition reactionOrganic ChemistrydiazineSettore CHIM/06 - Chimica OrganicadiastereoselectivityPhotochemistrySettore CHIM/08 - Chimica FarmaceuticaBiochemistryCycloadditionchemistry.chemical_compoundDipoleQuinoxalineComputational chemistryDrug Discovery13-Dipolar cycloadditionQuinazolineReactivity (chemistry)Tetrahedron Letters
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Synthesis of Amino-1,2,4-triazoles by Reductive ANRORC Rearrangements of 1,2,4-Oxadiazoles

2010

The reaction of various 1,2,4-oxadiazoles with an excess of hydrazine in DMF has been investigated. 3-Amino- 1,2,4-triazoles are produced through a reductive ANRORC pathway consisting of the addition of hydrazine to the 1,2,4-oxadiazole followed by ring-opening, ring-closure, and final reduction of the 3-hydroxylamino-1,2,4-triazole intermediate. The general applicability of 1,2,4-oxadiazoles ANRORC reactivity is demonstrated also in the absence of C(5)-linked electron-withdrawing groups.

oxadiazole triazole heterocycles rearrangementchemistry.chemical_classificationOrganic ChemistryHydrazineSettore CHIM/06 - Chimica OrganicaElectron acceptorMedicinal chemistryChemical synthesischemistry.chemical_compoundHydroxylaminechemistryChemical reductionAmine gas treatingReactivity (chemistry)The Journal of Organic Chemistry
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Bioactive compounds containing benzoxadiazole, benzothiadiazole, benzotriazole.

2010

benzoxadiazole benzothiadiazole benzotriazole bioactive compoundschemistry.chemical_compoundBenzotriazolechemistryOrganic chemistrySettore CHIM/06 - Chimica OrganicaGeneral Pharmacology Toxicology and PharmaceuticsSettore CHIM/08 - Chimica Farmaceutica
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ChemInform Abstract: Synthesis of Amino-1,2,4-triazoles by Reductive ANRORC Rearrangements of 1,2,4-Oxadiazoles.

2011

The hydrazinolysis of the oxadiazoles under optimized conditions allows a general synthesis of functionalized aminotriazole products which are of interest due to the biological activity of the heterocyclic system.

ChemistryTriazole derivativesOrganic chemistryBiological activityGeneral MedicineChemInform
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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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Synthesis of new fluorinated low molecular weight (LMW) gelators

2011

Oxadiazoles fluorinated compounds LMW gelators organogels hydrogelsSettore CHIM/06 - Chimica Organica
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Synthesis of Isoxazoline Derivatives through Boulton–Katritzky Rearrangement of 1,2,4-Oxadiazoles

2013

The base-induced rearrangement of 1,2,4-oxadiazoles into isoxazoline derivatives is reported. This represents the first example of a three-atom side-chain rearrangement that involves a saturated CCO side chain at C-3 of the oxadiazole. Nonaromatic 3-amino-isoxazoline derivatives are obtained in good yields. Interestingly, this reaction occurs through the rearrangement of aromatic oxadiazoles to form less stable bonds than those that are broken.

Synthetic methods Rearrangement Heterocycles AromaticitySettore CHIM/06 - Chimica Organica
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Sintesi di nuovi low molecular weight (LMW) hydrogelators fluorurati

2010

Settore CHIM/06 - Chimica OrganicaGels composti fluorurati ossadiazoli nanomateriali autoassemblanti
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New triazolo-pyrrolopyrazine systems by 1,3-dipolar cycloaddition

2007

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A convenient synthesis of cycloadduct bis-1,2,4-triazolo[4,3-a:3’,4’-c]quinoxalines by 1,3-dipolar cycloaddition

2006

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Reattività di diazine benzocondensate asimmetriche nelle reazioni di cicloaddizione 1,3-dipolare con dipoli nitriliminici

2007

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Sintesi e valutazione biologica di 1,2,4-ossadiazoli analoghi del Linezolid

2011

Settore CHIM/06 - Chimica Organicaoxadiazoles Linezolid anti-microbials oxazolidinonesSettore CHIM/08 - Chimica Farmaceutica
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Synthesis of isoxazoline derivatives by Boulton-Katritzky Rearrangements

2012

isoxazoline Boulton-Katritzky RearrangementsSettore CHIM/06 - Chimica Organica
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Sintesi di nuovi bent-core LC fluorurati

2011

Oxadiazoles fluorinated compounds liquid crystalsSettore CHIM/06 - Chimica Organica
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Sintesi di derivati triazolo-chinossalinici e triazolo-pirrolopirazinici di interesse farmaceutico mediante cicloaddizioni 1,3-dipolari

2006

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Sistemi pirrolo/indolo-pirazinici anellati di interesse farmaceutico. progettazione e sintesi mediante cicloaddizioni 1,3-dipolari.

2005

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Synthesis and chemical characterization of CuII, NiII and ZnII complexes of 3,5-bis(20-pyridyl)-1,2,4-oxadiazole and 3-(20-pyridyl)5-(phenyl)-1,2,4-o…

2011

The synthesis and structural characterization of NiII, CuII and ZnII complexes of two chelating 1,2, 4-oxadiazole ligands, namely 3,5-bis(20-pyridyl)-1,2,4-oxadiazole (bipyOXA) and 3-(20-pyridyl)5- (phenyl)-1,2,4-oxadiazole (pyOXA), is here reported. The formed hexacoordinated metal complexes are [M(bipyOXA)2(H2O)2](ClO4)2 and [M(pyOXA)2(ClO4)2], respectively (M = Ni, Cu, Zn). X-ray crystallography, 1H and 13C NMR spectroscopy and C, N, H elemental analysis data concord in attributing them an octahedral coordination geometry. The two coordinated pyOXA ligands assume a trans coplanar disposition, while the two bipyOXA ligands are not. The latter result is a possible consequence of the format…

Settore CHIM/03 - Chimica Generale E InorganicaSettore CHIM/06 - Chimica OrganicaCopper(II) complexes Crystal structure Nickel(II) complexes 124-Oxadiazoles Zinc(II) complexes
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Synthesis and biological evaluation of 1,4-oxadiazole analogues of Linezolid

2012

Oxadiazoles Linezolid Oxazolidinones antibacterialsSettore CHIM/06 - Chimica OrganicaSettore CHIM/08 - Chimica Farmaceutica
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Sintesi di ossadiazoli fluorurati come nuovi Low molecular weight hydrogelators

2010

Gels ossadiazoli composti fluorurati materiali autoassemblantiSettore CHIM/06 - Chimica Organica
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Sintesi di Low Molecular Weight Gelators (LMWG) Fluorurati

2011

LMWG Fluorurati
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In vitro and in silico studies of polycondensed diazine systems as anti-infective agents

2011

Infective diseases caused by protozoarian agents are still relevant today more than ever. In fact, they represent the first cause of death all over the world with seventeen millions victims every year. The development of drug resistance and the broad diffusion of these pathologies make actual the research of new molecules able to act as selective and effective anti-infective chemotherapics.[1] Recently several polycondensed diazine derivatives, by means 1,3-dipolar cycloaddition, reactions [2, 3] were synthesized. A broad selection of these compounds chosen with a wide pattern of substitutions were submitted to biological in vitro screening against Plasmodium falciparum, Leishmania Infantum…

ANTI-INFECTIVEIN SILICO STUDIESSettore CHIM/08 - Chimica FarmaceuticaIN VITRO STUDIES
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1,3-Dipolar cycloadditions in the synthesis of annelated diazines: design of new scaffolds for anticancer and antimicrobial agents

2008

13-Dipolar cycloadditions annelated diazines anticancer and antimicrobial agentsSettore CHIM/08 - Chimica Farmaceutica
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Sintesi di 1,2,4-ossadiazoli fluorurati analoghi del Linezolid come potenziali anti-batterici

2009

L'aumentata multidrug resistance tra i batteri patogeni Gram-positivi ha riacceso l'interesse verso la ricerca di nuove classi strutturali di antibiotici attivi nei confronti di batteri multiresistenti.1 Il Linezolid, appartenente alla classe degli ossazolidinoni, è il capostipite di una nuova generazione di anti-batterici di sintesi attivi contro patogeni Gram-positivi.2 La ricerca di nuovi analoghi del Linezolid risulta quanto mai attuale dato il recente riscontro di fenomeni di resistenza batterica a tale farmaco.3 In questo contesto, verranno presentati alcuni risultati preliminari relativi allo sviluppo di nuove metodologie di sintesi per l’ottenimento di composti eterociclici fluorura…

Settore CHIM/06 - Chimica Organicaossadiazoli eterocicli fluorurati Linezolid anti-batterici
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New triazolopyrrolopyrazine and triazoloindolopyrazine systems of biological interest by 1,3-dipolar cycloaddition

2007

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Novel ANRORC rearrangements of 1,2,4-oxadiazoles

2010

Settore CHIM/06 - Chimica OrganicaAnrorc rearrangement oxadiazole triazole fused heterocycles
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Sintesi di derivati tetraidrobis-triazolochinossalinici e di nuovi sistemi triazolopirrolopirazinici di interesse biologico mediante cicloaddizioni 1…

2007

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Bis-1,2,4-triazolo[4,3-a:3’,4’-c]quinoxalines of pharmaceutical interest from 1,3-dipolar cycloaddition

2006

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