0000000000065230

AUTHOR

Angela Casini

0000-0003-1599-9542

showing 59 related works from this author

New heteronuclear gold(I)-platinum(II) complexes with cytotoxic properties: are two metals better than one?

2014

A series of mono- and heterodinuclear gold(I) and platinum(II) complexes with a new bipyridylamine-phosphine ligand have been synthesized and characterized. The X-ray structures of the ligand precursor 4-iodo-N,N-di(pyridin-2-yl)benzamide, and of one gold derivative are reported. All the complexes display antiproliferative properties in vitro in human cancer cells in the range of cisplatin or higher, which appear to correlate with compounds' uptake. Interestingly, studies of the interactions of the compounds with models of DNA indicate different mechanisms of actions with respect to cisplatin. The biological activity study of these complexes provides useful information about the interest of…

Organoplatinum CompoundsStereochemistryCell SurvivalPhosphinesPyridinesthioglucoseGOLD COMPOUNDSchemistry.chemical_elementAntineoplastic AgentsPLATINUM COMPLEXESBiochemistryRutheniumInorganic Chemistrychemistry.chemical_compoundStructure-Activity RelationshipGold CompoundsCoordination ComplexesCell Line TumormedicineHumansDNA bindingBenzamideBIOLOGICAL-PROPERTIESCell ProliferationCisplatinheteronuclear complexDERIVATIVESChemistryLigandCytotoxinsBiological activityBiological TransportDNAPYRIDINEanticancer agentRutheniumHeteronuclear moleculepolymerizationBenzamidesLIGANDSCisplatinGold complexesPlatinumOrganogold Compoundsmedicine.drugPlasmidsJournal of inorganic biochemistry
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Ferrocenyl-Coupled N-Heterocyclic Carbene Complexes of Gold(I)

2016

Four gold(I) carbene complexes featuring 4-ferro-cenyl-substituted imidazol-2-ylidene ligands were investigated for antiproliferative and antivascular properties. They were active against a panel of seven cancer cell lines, including multidrug-resistant ones, with low micromolar or nanomolar IC50 (72 h) values, according to their lipophilicity and cellular uptake. The delocalized lipophilic cationic complexes 8 and 10 acted by increasing the reactive oxygen species in two ways: through a genuine ferrocene effect and by inhibiting the thioredoxin reductase. Both complexes gave rise to a reorganization of the F-actin cytoskeleton in endothelial and melanoma cells, associated with a G1 phase c…

StereochemistryMetallocenesThioredoxin reductaseANTITUMOR-ACTIVITYDNA-BINDINGAntineoplastic AgentsCARCINOMA-CELLSCELLULAR UPTAKEPOTENTIAL ANTICANCER010402 general chemistrymetal-based drugs01 natural sciencesCatalysisantitumor agentschemistry.chemical_compoundMiceCoordination ComplexesAnimalsQDFerrous CompoundsIC50CANCER CELLSantivascular activitychemistry.chemical_classificationTube formationReactive oxygen species010405 organic chemistryChemistryOrganic ChemistryCell migrationGeneral ChemistryIN-VITROgold0104 chemical sciencescarbenesChorioallantoic membraneLipophilicityMETAL-COMPLEXESReactive Oxygen SpeciesTHIOREDOXIN REDUCTASE INHIBITORSCHORIOALLANTOIC MEMBRANE MODELCarbeneChemistry
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Cyclometalated Au(III) Complexes for Cysteine Arylation in Zinc Finger Protein Domains: Towards Controlled Reductive Elimination

2019

With the aim of exploiting the use of organometallic species for the efficient modification of proteins through C-atom transfer, the gold-mediated cysteine arylation through a reductive elimination process occurring from the reaction of cyclometalated AuIII C^N complexes with a zinc finger peptide (Cys2His2 type) is here reported. Among the four selected AuIII cyclometalated compounds, the [Au(CCON)Cl2] complex featuring the 2-benzoylpyridine (CCON) scaffold was identified as the most prone to reductive elimination and Cys arylation in buffered aqueous solution (pH 7.4) at 37 °C by high-resolution LC electrospray ionization mass spectrometry. DFT and quantum mechanics/molecular mechanics (Q…

Models Molecularzinc finger proteinProtein DomainPeptidecatalysi010402 general chemistry01 natural sciencesCatalysisReductive eliminationCatalysisThermodynamicOrganogold Compounds[CHIM]Chemical SciencesReactivity (chemistry)CysteineZinc fingerchemistry.chemical_classificationAqueous solutionCoordination Complexe010405 organic chemistryOrganic Chemistryreductive eliminationZinc FingersGeneral ChemistryCombinatorial chemistry0104 chemical sciencescysteine arylationchemistrySettore CHIM/03 - Chimica Generale E Inorganicagold complexeQuantum TheoryGoldCysteine
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"Dynamical Docking" of Cyclic Dinuclear Au(I) Bis-N-heterocyclic Complexes Facilitates Their Binding to G-Quadruplexes.

2022

With the aim to improve the design of metal complexes as stabilizers of noncanonical DNA secondary structures, namely, G-quadruplexes (G4s), a series of cyclic dinuclear Au(I) N-heterocyclic carbene complexes based on xanthine and benzimidazole ligands has been synthesized and characterized by various methods, including X-ray diffraction. Fluorescence resonance energy transfer (FRET) and CD DNA melting assays unraveled the compounds’ stabilization properties toward G4s of different topologies of physiological relevance. Initial structure–activity relationships have been identified and recognize the family of xanthine derivatives as those more selective toward G4s versus duplex DNA. The bind…

Inorganic ChemistryG-quadruplexPhysical and Theoretical ChemistryInorganic chemistry
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Luminescent iminophosphorane gold, palladium and platinum complexes as potential anticancer agents

2014

A series of coordination gold(III), palladium(II), and platinum(II) complexes with a luminescent iminophosphorane ligand derived from 8-aminoquinoline [Ph3P[double bond, length as m-dash]N–C9H6N] (1) have been synthesized and structurally characterized. The coordination palladium(II) and platinum(II) compounds can evolve further, under appropriate conditions, to give stable cyclometalated endo species [M{κ3-C,N,N-C6H4(PPh2[double bond, length as m-dash]N-8-C9H6N)}Cl] (M = Pd, Pt) by C–H activation of the phenyl group of the PPh3 fragment. Iminophosphorane 1 and the new metallic complexes are luminescent in DMSO or DMSO–H2O (1 : 1 mixture) solutions at RT. The compounds have been evaluated f…

CisplatinLigandStereochemistrychemistry.chemical_elementHuman serum albuminCombinatorial chemistryArticleInorganic ChemistryMetalchemistry.chemical_compoundchemistryCell culturevisual_artmedicinevisual_art.visual_art_mediumPhenyl groupPlatinummedicine.drugPalladium
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Exploring the Chemoselectivity towards Cysteine Arylation by Cyclometallated Au III Compounds: New Mechanistic Insights

2020

To gain more insight into the factors controlling the efficient cysteine arylation by cyclometalated Au(III) complexes, the reaction between selected gold compounds and different peptides was investigated by high‐resolution liquid chromatography electrospray ionization mass spectrometry (HR‐LC‐ESI‐MS). The deducted mechanisms of C–S cross‐coupling, also supported by density functional theory (DFT) and quantum mechanics/molecular mechanics (QM/MM) calculations, evidenced the key role of secondary peptidic gold binding sites in favouring the process of reductive elimination.

010405 organic chemistryChemistryElectrospray ionizationOrganic Chemistrycyclometallated gold complexes010402 general chemistryMass spectrometry01 natural sciencesBiochemistryCombinatorial chemistryMolecular mechanicsReductive elimination0104 chemical sciencesddc:cysteine arylationGold CompoundschemoselectivitySettore CHIM/03 - Chimica Generale E InorganicapeptidesMolecular MedicineDensity functional theoryChemoselectivityMolecular BiologyCysteinemass spectrometry
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The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods

2017

The inhibition of water and glycerol permeation via human aquaglyceroporin-3 (AQP3) by gold(iii) complexes has been studied by stopped-flow spectroscopy and, for the first time, its mechanism has been described using molecular dynamics (MD), combined with density functional theory (DFT) and electrochemical studies. The obtained MD results showed that the most effective gold-based inhibitor, anchored to Cys40 in AQP3, is able to induce shrinkage of pores preventing glycerol and water permeation. Moreover, the good correlation between the affinity of the Au(iii) complex to Cys binding and AQP3 inhibition effects was highlighted, while no influence of the different oxidative character of the c…

Surfaces Coatings and FilmAquaporinCeramics and CompositeOxidative phosphorylationMolecular Dynamics Simulation010402 general chemistryElectrochemistry01 natural sciencesCatalysisCatalysiMolecular dynamicschemistry.chemical_compoundGold CompoundsJournal ArticleMaterials ChemistryGlycerolHumansOrganic chemistryAquaporin 3Molecular Structure010405 organic chemistryChemistryElectronic Optical and Magnetic MaterialChemistry (all)Metals and AlloysGeneral ChemistryPermeation0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsSettore CHIM/03 - Chimica Generale E InorganicaCeramics and CompositesBiophysicsQuantum TheoryDensity functional theoryOrganogold CompoundsChemical Communications
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Comparative biological evaluation and G-quadruplex interaction studies of two new families of organometallic gold(I) complexes featuring N-heterocycl…

2020

Experimental organometallic gold(I) compounds hold promise for anticancer therapy. This study reports the synthesis of two novel families of gold(I) complexes, including N1-substituted bis-N-heterocyclic carbene (NHC) complexes of general formula [Au(N1-TBM) 2]BF 4 (N1-TBM = N1-substituted 9-methyltheobromin-8-ylidene) and mixed gold(I) NHC-alkynyl complexes, [Au(N1-TBM)alkynyl]. The compounds were fully characterised for their structure and stability in aqueous environment and in the presence of N-acetyl cysteine by nuclear magnetic resonance (NMR) spectroscopy. The structures of bis(1-ethyl-3,7,9-trimethylxanthin-8-ylidene)gold(I), (4-ethynylpyridine)(1,9-dimethyltheobromine-8-ylidene)gol…

Circular dichroismStereochemistryAntineoplastic Agents010402 general chemistryG-quadruplexLigands01 natural sciencesBiochemistryInorganic Chemistrychemistry.chemical_compoundNeoplasmsMoietyGold(I) organometallicsHumansN-heterocyclic carbenesCancer010405 organic chemistryChemistryFluorescenceG-quadruplexes0104 chemical sciencesFörster resonance energy transferMCF-7 CellsBODIPYDrug Screening Assays AntitumorSelectivityCarbeneAlkynyl ligandsMethaneOrganogold Compounds
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Carbon–Phosphorus Coupling from C^N Cyclometalated Au III Complexes

2020

Abstract With the aim of exploiting new organometallic species for cross‐coupling reactions, we report here on the AuIII‐mediated Caryl−P bond formation occurring upon reaction of C^N cyclometalated AuIII complexes with phosphines. The [Au(C^N)Cl2] complex 1 featuring the bidentate 2‐benzoylpyridine (CCON) scaffold was found to react with PTA (1,3,5‐triaza‐7‐phosphaadamantane) under mild conditions, including in water, to afford the corresponding phosphonium 5 through C−P reductive elimination. A mechanism is proposed for the title reaction based on in situ 31P{1H} NMR and HR‐ESI‐MS analyses combined with DFT calculations. The C−P coupling has been generalized to other C^N cyclometalated Au…

Organometallic Chemistrygold(III) cyclometalataled compoundsDenticitygold(III) cyclometalated compoundschemistry.chemical_element010402 general chemistry01 natural sciencesMedicinal chemistryDFTCatalysisReductive eliminationchemistry.chemical_compoundcross-couplingcarbon-phosphorous bond[CHIM]Chemical SciencesReactivity (chemistry)Phosphonium010405 organic chemistryPhosphorusCommunicationOrganic Chemistryreductive eliminationGeneral ChemistryBond formationcross- couplingCommunications0104 chemical sciences3. Good healthddc:gold(III) cyclometalataled compoundchemistrySettore CHIM/03 - Chimica Generale E Inorganicadensity functional calculationscarbon–phosphorous bondCarbon
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New Gold(I) Organometallic Compounds with Biological Activity in Cancer Cells (Eur. J. Inorg. Chem. 27/2014)

2014

Inorganic Chemistrychemistry.chemical_classificationEnzymeChemistryStereochemistryCancer cellmedicineCancerBiological activitymedicine.diseaseGroup 2 organometallic chemistryEuropean Journal of Inorganic Chemistry
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Potential anticancer heterometallic Fe-Au and Fe-Pd agents: Initial mechanistic insights

2013

A series of gold(III) and palladium(II) heterometallic complexes with new iminophosphorane ligands derived from ferrocenylphosphanes [{Cp-P(Ph2)═N-Ph}2Fe] (1), [{Cp-P(Ph2)═N-CH2-2-NC5H4}2Fe] (2), and [{Cp-P(Ph2)═N-CH2-2-NC5H4}Fe(Cp)] (3) have been synthesized and structurally characterized. Ligands 2 and 3 afford stable coordination complexes [AuCl2(3)]ClO4, [{AuCl2}2(2)](ClO4)2, [PdCl2(3)], and [{PdCl2}2(2)]. The complexes have been evaluated for their antiproliferative properties in human ovarian cancer cells sensitive and resistant to cisplatin (A2780S/R), in human breast cancer cells (MCF7) and in a nontumorigenic human embryonic kidney cell line (HEK-293T). The highly cytotoxic trimeta…

STRUCTURAL-CHARACTERIZATIONARENE-RUTHENIUM COMPLEXESStereochemistryANTITUMOR-ACTIVITYchemistry.chemical_elementGOLD COMPOUNDSAntineoplastic AgentsCYTOTOXIC ACTIVITYArticleCoordination ComplexesCell Line TumorDrug DiscoveryOrganometallic CompoundsmedicineHumansCytotoxic T cellFerrous CompoundsBIOLOGICAL-PROPERTIESGroup 2 organometallic chemistryCisplatinHEK 293 cellsIn vitroPLATINUM(II) COMPLEXESHEK293 CellschemistryCELL-DEATHCell cultureCancer cellMolecular MedicineMETAL-COMPLEXESCisplatinOrganogold CompoundsPalladiumX-RAY-STRUCTUREPalladiummedicine.drug
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Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investi…

2016

International audience; The dicarbene gold(I) complex [Au(9-methylcaffein-8-ylidene)(2)]BF4 is an exceptional organometallic compound of profound interest as a prospective anticancer agent. This gold(I) complex was previously reported to be highly cytotoxic toward various cancer cell lines invitro and behaves as a selective G-quadruplex stabilizer. Interactions of the gold complex with various telomeric DNA models have been analyzed by a combined ESI MS and X-ray diffraction (XRD) approach. ESI MS measurements confirmed formation of stable adducts between the intact gold(I) complex and Tel 23 DNA sequence. The crystal structure of the adduct formed between [Au(9-methylcaffein-8-ylidene)(2)]…

0301 basic medicineSpectrometry Mass Electrospray IonizationESI mass spectrometryStereochemistryElectrospray ionizationStackingESI mass spectrometry; G-quadruplexes; X-ray diffraction; cancer; gold[SDV.CAN]Life Sciences [q-bio]/CancerCrystal structurepotential anticancer agents010402 general chemistryG-quadruplex01 natural sciences[ CHIM ] Chemical SciencesCatalysisAdduct[ SDV.CAN ] Life Sciences [q-bio]/Cancerchemistry.chemical_compound03 medical and health sciencescancer[CHIM]Chemical SciencesChemistry010405 organic chemistryloop flexibilityapoptosiscrystal-structureGeneral ChemistryGeneral MedicineTelomeregoldG-quadruplexesinhibition3. Good health0104 chemical sciencesX-ray diffractionstabilizationcarbene complexessmall molecules030104 developmental biologypancreatic-cancer cellsX-ray crystallographySelectivityDNAmetal-complexes
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The inhibition of glycerol permeation through aquaglyceroporin-3 induced by mercury(II)

2016

Mercurial compounds are known to inhibit water permeation through aquaporins (AQPs). Although in the last years some hypotheses were proposed, the exact mechanism of inhibition is still an open question and even less is known about the inhibition of the glycerol permeation through aquaglyceroporins. Molecular dynamics (MD) simulations of human aquaporin-3 (AQP3) have been performed up to 200 ns in the presence of Hg2+ ions. For the first time, we have observed the unbiased passage of a glycerol molecule from the extracellular to cytosolic side. Moreover, the presence of Hg2+ ions covalently bound to Cys40 leads to a collapse of the aromatic/arginine selectivity filter (ar/R SF), blocking th…

Glycerol0301 basic medicineMolecular dynamicCell Membrane PermeabilityBiochemistryProtein Structure Secondarychemistry.chemical_compoundGLPFCOORDINATIONCRYSTALEscherichia coli ProteinsPermeationBiochemistryCovalent bondSettore CHIM/03 - Chimica Generale E InorganicaPhosphatidylcholinesCOMPLEXESProtein BindingSTRUCTURAL BASISCations DivalentPlasmodium falciparumAquaporinCYSTEINE-189Molecular Dynamics SimulationMolecular dynamicsAquaporinsWATER CHANNELInorganic Chemistry03 medical and health sciencesEscherichia coliGlycerolExtracellularHumansMoleculePERMEABILITYProtein Structure QuaternaryAquaporin 3Binding SitesAQUAPORIN INHIBITIONWaterBiological TransportMembranes ArtificialAquaglyceroporinMercurySIMULATIONSProtein Structure TertiaryCytosolWater permeation030104 developmental biologyAquaglyceroporinschemistryStructural Homology ProteinBiophysicsGlycerol permeationJournal of Inorganic Biochemistry
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Selective targeting of PARP-1 zinc finger recognition domains with Au(III) organometallics

2018

The binding of Au(iii) complexes to the zinc finger domain of the anticancer drug target PARP-1 was studied using a hyphenated mass spectrometry approach combined with quantum mechanics/molecular mechanics (QM/MM) studies. Competition experiments were carried out, whereby each Au complex was exposed to two types of zinc fingers. Notably, the cyclometallated Au-C^N complex was identified as the most selective candidate to disrupt the PARP-1 zinc finger domain, forming distinct adducts compared to the coordination compound Auphen.

Materials Chemistry2506 Metals and AlloysStereochemistryPoly ADP ribose polymeraseSurfaces Coatings and FilmCeramics and Composite010402 general chemistryMass spectrometry01 natural sciencesMolecular mechanicsCatalysisCoordination complexAdductCatalysiMaterials Chemistrychemistry.chemical_classificationZinc finger010405 organic chemistryElectronic Optical and Magnetic MaterialChemistry (all)Metals and AlloysGeneral ChemistryAnticancer drug0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialschemistrySettore CHIM/03 - Chimica Generale E InorganicaCeramics and Composites2506
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Highly-fluorescent BODIPY-functionalised metallacages as drug delivery systems

2022

With the aim of designing new metallosupramolecular architectures for drug delivery, research has focused on porous 3-dimensional (3D)-metallacages able to encapsulate cytotoxic agents protecting them from metabolism while targeting them to cancer sites. Here, two self-assembled [Pd2L4]4+ cages (CG1 and CG2) featuring 3,5-bis(3-ethynylpyridine)phenyl ligands (L) exo-functionalised with dipyrromethene (BODIPY) groups have been synthesised and characterised by different methods, including NMR spectroscopy and mass spectrometry. 1H NMR spectroscopy studies shows that the cages are able to encapsulate the anticancer drug cisplatin in their hydrophobic cavity, as evidenced by electrostatic poten…

Boron CompoundsInorganic ChemistryDrug Delivery SystemsCell Line TumorHumansCisplatinPalladiumDalton Transactions
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Reactivity of anticancer metallodrugs with serum proteins: New insights from size exclusion chromatography-ICP-MS and ESI-MS

2010

International audience; A method based on the coupling of high resolution size-exclusion liquid chromatography using a polymer stationary phase with inductively coupled plasma mass spectrometry was developed to study the interactions of two metallodrugs - cisplatin and RAPTA-T - with the serum proteins albumin and transferrin. In contrast to previous approaches, the technique allowed the total recovery of the metals from the column and was able to discriminate between the different species of the metallodrugs and their complexes with the proteins at femtomolar detection levels. Metal binding was found to be dependent on the protein concentration and on the incubation time of the sample. Cis…

Binding-SitesElectrospray ionizationSize-exclusion chromatographyPeptidePlasma-Mass Spectrometry010402 general chemistry01 natural sciencesArticleAnalytical ChemistryOrganometallic Ruthenium CompoundCapillary electrophoresisComplexes[CHIM.ANAL]Chemical Sciences/Analytical chemistry[CHIM]Chemical SciencesInductively coupled plasma mass spectrometrySpectroscopychemistry.chemical_classificationChromatographyChemistry010401 analytical chemistryCisplatin BindingTransferrinAlbuminCapillary-ElectrophoresisMultidimensional Liquid-ChromatographyBlood proteins0104 chemical sciencesTransferrinPlatinum Antitumor ChemistryEscherichia-Coli
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On the Mechanism of Gold/NHC Compounds Binding to DNA G-Quadruplexes: Combined Metadynamics and Biophysical Methods

2018

The binding modes and free-energy landscape of two AuI /N-heterocyclic carbene complexes interacting with G-quadruplexes, namely a human telomeric (hTelo) and a promoter sequence (C-KIT1), are studied here for the first time by metadynamics. The theoretical results are validated by FRET DNA melting assays and provide an accurate estimate of the absolute gold complex/DNA binding free energy. This advanced in silico approach is valuable to achieve rational drug design of selective G4 binders.

Molecular Structure010405 organic chemistryIn silicoMetadynamicsDrug designSequence (biology)General MedicineDNAGeneral Chemistryanticancer010402 general chemistryG-quadruplex01 natural sciencesCombinatorial chemistryCatalysis0104 chemical sciencesG-Quadruplexeschemistry.chemical_compoundNucleic acid thermodynamicsFörster resonance energy transferchemistryFluorescence Resonance Energy TransferN-heterocyclic carbenesGoldDNAAngewandte Chemie International Edition
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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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Competitive Profiling of Ligandable Cysteines in Staphylococcus aureus with an Organogold Compound

2022

With the idea of exploiting metal-templated reactions to achieve selective modification of cysteines in proteins for antibacterial applications, an organometallic cyclometalated Au(III) compound was explored in a competitive chemoproteomic approach based on the isoDTB-ABPP (isotopically labelled desthiobiotin azide-activity-based protein profiling) technology in S. aureus cell extracts. In this way, more than 100 ligandable cysteines where identified, of which 10 were close to functional sites of proteins encoded by essential genes indicating potential for antibiotic development. Interestingly, more than 50% of the identified ligandable sites were not engaged by organic α-chloroacetamides i…

Staphylococcus aureusMaterials ChemistryMetals and AlloysCeramics and CompositesCysteineGeneral ChemistryOrganogold CompoundsCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materials
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Characterization of Hydrophilic Gold(I) N-Heterocyclic Carbene (NHC) Complexes as Potent TrxR Inhibitors Using Biochemical and Mass Spectrometric App…

2017

We report here on the synthesis of a series of mono-and dinuclear gold(I) complexes exhibiting sulfonated bis(NHC) ligands and novel hydroxylated mono(NHC) Au(I) compounds, which were also examined for their 'biological activities. Initial cell viability assays show strong antiproliferative activities of the hydroxylated mono(NHC) gold compounds (8 > 9 > 10) against 2008 human ovarian cancer cells even after 1 h incubation. In order to gain insight into the mechanism of biological action of the gold compounds, their effect on the pivotal cellular target seleno-enzyme thioredoxin reductase (TrxR), involved in the maintenance of intracellular redox balance, was investigated in depth. Th…

Thioredoxin Reductase 1AuranofinSilverStereochemistryThioredoxin reductaseThioredoxin Reductase 2WATER-SOLUBLE RUTHENIUM(II)Antineoplastic Agents010402 general chemistryG-quadruplexLigandsIN-VITRO CYTOTOXICITYLIGANDS SYNTHESIS01 natural sciencesInorganic Chemistrychemistry.chemical_compoundDrug StabilityThioredoxin Reductase 1Coordination ComplexesTHIOREDOXIN REDUCTASE INHIBITIONCell Line TumormedicineOrganogold CompoundsAnimalsHumansCRYSTAL-STRUCTURESPhysical and Theoretical ChemistryCANCER CELLSBIOLOGICAL-PROPERTIES010405 organic chemistryChemistryMOLECULAR-MECHANISMSDNA0104 chemical sciencesRatsG-QuadruplexesGlutathione ReductaseSolubilityBiological targetCancer cellPLATINUM ANTICANCER DRUGSMETAL-COMPLEXESGoldReactive Oxygen SpeciesCarbeneHydrophobic and Hydrophilic InteractionsOrganogold Compoundsmedicine.drugInorganic Chemistry
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Comparing the Antileishmanial Activity of Gold(I) and Gold(III) Compounds in L. amazonensis and L. braziliensis in Vitro

2020

Abstract Abstract: A series of mononuclear coordination or organometallic AuI/AuIII complexes (1–9) have been comparatively studied in vitro for their antileishmanial activity against promastigotes and amastigotes, the clinically relevant parasite form, of Leishmania amazonensis and Leishmania braziliensis. One of the cationic AuI bis‐N‐heterocyclic carbenes (3) has low EC50 values (ca. 4 μM) in promastigotes cells and no toxicity in host macrophages. Together with two other AuIII complexes (6 and 7), the compound is also extremely effective in intracellular amastigotes from L. amazonensis. Initial mechanistic studies include an evaluation of the gold complexes′ effect on L. amazonensis’ pl…

StereochemistryAntiprotozoal Agentsamastigotes01 natural sciencesBiochemistryMiceGold iiiParasitic Sensitivity TestsGold CompoundsDrug Discoverygold compoundsmedicineAnimalsGeneral Pharmacology Toxicology and PharmaceuticsAmastigoteleishmaniasisCells CulturedEC50LeishmaniaPharmacologyMice Inbred BALB CMolecular Structurebiology010405 organic chemistryChemistryCommunicationOrganic ChemistryLeishmaniasismedicine.diseasebiology.organism_classificationLeishmania braziliensisCommunicationsIn vitroddc:0104 chemical sciences010404 medicinal & biomolecular chemistryMolecular MedicinepromastigotesOrganogold CompoundsIntracellularChemMedChem
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C−C Cross-Couplings from a Cyclometalated Au(III) C∧ N Complex: Mechanistic Insights and Synthetic Developments

2021

Abstract In recent years, the reactivity of gold complexes was shown to extend well beyond π‐activation and to hold promises to achieve selective cross‐couplings in several C−C and C−E (E=heteroatom) bond forming reactions. Here, with the aim of exploiting new organometallic species for cross‐coupling reactions, we report on the Au(III)‐mediated C(sp2)−C(sp) occurring upon reaction of the cyclometalated complex [Au(CCH2N)Cl2] (1, CCH2N=2‐benzylpyridine) with AgPhCC. The reaction progress has been monitored by NMR spectroscopy, demonstrating the involvement of a number of key intermediates, whose structures have been unambiguously ascertained through 1D and 2D NMR analyses (1H, 13C, 1H‐1H CO…

Coordination sphereHeteroatom010402 general chemistry01 natural sciencesCatalysisReductive eliminationNMR spectroscopyNucleophilecross-couplingReactivity (chemistry)Full Paper010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic Chemistryreductive eliminationGeneral ChemistryNuclear magnetic resonance spectroscopy[CHIM.CATA]Chemical Sciences/CatalysisFull PapersTransition state0104 chemical sciencesgold cyclometalated complexesCrystallographyZincSettore CHIM/03 - Chimica Generale E InorganicaGoldTwo-dimensional nuclear magnetic resonance spectroscopyorganometallics
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The antifibrotic potential of a sustained release formulation of a PDGF beta-receptor targeted rho kinase inhibitor

2019

Rho kinase activity in hepatic stellate cells (HSCs) is associated with activation, transformation and contraction of these cells, leading to extracellular matrix production and portal hypertension in liver cirrhosis. Inhibition of rho kinase activity can reduce these activities, but may also lead to side effects, for instance systemic hypotension. This can be circumvented by liver-specific delivery of a rho kinase inhibitor to effector cells. Therefore, we targeted the rho kinase inhibitor Y27632 to the key pathogenic cells in liver fibrosis, i.e. myofibroblasts including activated HSCs that highly express the PDGF beta-receptor, using the drug carrier pPB-MSA. This carrier consists of mou…

Liver CirrhosisDrug targetingPyridinesPolymeric microspheresPharmaceutical Science02 engineering and technologyPharmacologychemistry.chemical_compoundY-27632FibrosisControlled releaseRho-associated protein kinaseMice Knockout0303 health sciencesDrug Carriersrho-Associated KinasesChemistryCIRRHOTIC RATS021001 nanoscience & nanotechnologyMicrospheresY-27632Drug deliveryFemale0210 nano-technologyDrug carrierATP Binding Cassette Transporter Subfamily BSIGNALING CONTRIBUTESLiver fibrosisBiologicalsHEPATIC STELLATE CELLSCell LineMECHANISMSReceptor Platelet-Derived Growth Factor beta03 medical and health sciencesDELIVERYROCK INHIBITORmedicineAnimalsHumansProtein Kinase Inhibitors030304 developmental biologyProtein deliveryPORTAL PRESSUREmedicine.diseaseAmidesTargeted drug deliveryRho kinase inhibitorDelayed-Action PreparationsHepatic stellate cellVASODILATIONJournal of Controlled Release
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Gold(I) compounds with lansoprazole-type ligands

2014

A number of gold(I) complexes containing the proton pump inhibitor (PPI) lansoprazole and its reduced precursor 2-((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methylthio)-1H-benzo[d]imidazole have been synthesized and their biological effects have been evaluated in human cancer and nontumorigenic cells in vitro. The lansoprazole-based compounds appear to act through a V-H+-ATPase-mediated mechanism.

PharmacologyStereochemistryOrganic ChemistryLansoprazolePharmaceutical ScienceANTIPROLIFERATIVE PROPERTIESSERIESBiochemistryTUMORSIn vitroPROTON-PUMP INHIBITORSchemistry.chemical_compoundchemistryCHEMISTRYTARGETSDrug DiscoverymedicineMolecular MedicineImidazoleSOLUTION BEHAVIORCOMPLEXESAGENTSHuman cancerRESISTANCEmedicine.drugMedChemCommun
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Identifying and validating the presence of guanine-quadruplexes (G4) within the blood fluke parasite schistosoma mansoni

2021

Schistosomiasis is a neglected tropical disease that currently affects over 250 million individuals worldwide. In the absence of an immunoprophylactic vaccine and the recognition that mono-chemotherapeutic control of schistosomiasis by praziquantel has limitations, new strategies for managing disease burden are urgently needed. A better understanding of schistosome biology could identify previously undocumented areas suitable for the development of novel interventions. Here, for the first time, we detail the presence of G-quadruplexes (G4) and putative quadruplex forming sequences (PQS) within the Schistosoma mansoni genome. We find that G4 are present in both intragenic and intergenic regi…

Untranslated regionMaleSchistosoma MansoniMolecular biologyRC955-962Oligonucleotides01 natural sciencesGenomeBiochemistryMiceIntergenic regionMedical ConditionsUntranslated RegionsArctic medicine. Tropical medicineInvertebrate GenomicsMedicine and Health SciencesRNA structureGenetics0303 health sciencesMammalian GenomicsbiologyNucleotidesCircular DichroismMessenger RNAEukaryotaGenomicsG4 Schistosoma mansoni schistosomiasis3. Good healthPraziquantelNucleic acidsInfectious DiseasesSchistosomaFemaleSchistosoma mansoniPublic aspects of medicineRA1-1270medicine.drugSignal TransductionResearch Article3' UtrSchistosomiasis010402 general chemistry03 medical and health sciencesHelminthsmedicineGeneticsParasitic DiseasesAnimalsGene030304 developmental biologySchistosomaGenome HelminthPublic Health Environmental and Occupational HealthOrganismsBiology and Life Sciencesbiology.organism_classificationmedicine.diseaseInvertebrates0104 chemical sciencesG-QuadruplexesMacromolecular structure analysisAnimal GenomicsRNAZoology
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An Organometallic Gold(I) Bis‐N‐Heterocyclic Carbene Complex with Multimodal Activity in Ovarian Cancer Cells

2020

Abstract The organometallic AuI bis‐N‐heterocyclic carbene complex [Au(9‐methylcaffeine‐8‐ylidene)2]+ (AuTMX2) was previously shown to selectively and potently stabilise telomeric DNA G‐quadruplex (G4) structures. This study sheds light on the molecular reactivity and mode of action of AuTMX2 in the cellular context using mass spectrometry‐based methods, including shotgun proteomics in A2780 ovarian cancer cells. In contrast to other metal‐based anticancer agents, this organogold compound is less prone to form coordinative bonds with biological nucleophiles and is expected to exert its drug effects mainly by non‐covalent interactions. Global protein expression changes of treated cancer cell…

ProteomicsNucleolusCancer | Very Important PaperContext (language use)Antineoplastic Agents010402 general chemistryProteomicsG-quadruplex01 natural sciencesCatalysischemistry.chemical_compoundgold complexesCaffeineCell Line TumorOrganometallic CompoundscancerHumansN-heterocyclic carbenesShotgun proteomicsMode of actionOvarian NeoplasmsFull Paper010405 organic chemistryChemistryOrganic ChemistryGeneral ChemistryFull PaperstelomeresG-quadruplexes0104 chemical sciencesddc:BiochemistryCancer cellFemaleGoldCarbeneMethane
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An organogold compound as potential antimicrobial agent against drug resistant bacteria: Initial mechanistic insights

2021

Abstract The rise of antimicrobial resistance has necessitated novel strategies to efficiently combat pathogenic bacteria. Metal‐based compounds have been proven as a possible alternative to classical organic drugs. Here, we have assessed the antibacterial activity of seven gold complexes of different families. One compound, a cyclometalated Au(III) C^N complex, showed activity against Gram‐positive bacteria, including multi‐drug resistant clinical strains. The mechanism of action of this compound was studied in Bacillus subtilis. Overall, the studies point towards a complex mode of antibacterial action, which does not include induction of oxidative stress or cell membrane damage. A number …

Cell Survivalmedicine.drug_classAntibioticsorganometallic drugsmode of action.Microbial Sensitivity TestsGram-Positive Bacteriamedicine.disease_causeBiochemistrydrug resistant bacteriaMiceStructure-Activity RelationshipAntibioticsDrug Discoverygold compoundsmedicineAnimalsGeneral Pharmacology Toxicology and PharmaceuticsMode of actionPharmacologyFull PaperDose-Response Relationship DrugMolecular StructurebiologyChemistryOrganic ChemistryPathogenic bacteriaFull Papersbiology.organism_classificationAntimicrobialAnti-Bacterial AgentsMechanism of actionBiochemistryMolecular Medicinemedicine.symptomAntibacterial activityOrganogold CompoundsBacteriaEx vivo
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BODIPY-phosphane as a versatile tool for easy access to new metal-based theranostics

2012

A new BODIPY-phosphane was synthesized and proved to be a versatile tool for imaging organometallic complexes. It also led to easy access to a new family of theranostics, featuring gold, ruthenium and osmium complexes. The compounds' cytotoxicity was tested on cancer cells, and their cell uptake was followed by fluorescence microscopy in vitro.

Boron Compoundsinorganic chemicalsCell SurvivalPhosphinesINHIBITIONchemistry.chemical_elementGOLD COMPOUNDSRutheniumInorganic ChemistryMetalchemistry.chemical_compoundGold CompoundsPOLYPYRIDINE COMPLEXESCoordination ComplexesCHEMISTRYCell Line TumorFluorescence microscopeHumansOrganic chemistryOsmiumCytotoxicityAGENTSMicroscopy ConfocalChemistryOsmiumCombinatorial chemistryRutheniumMetalsvisual_artPHOTOPHYSICAL PROPERTIESCancer cellvisual_art.visual_art_mediumMODESGoldBODIPYDYESBEHAVIOR
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New Gold(I) Organometallic Compounds with Biological Activity in Cancer Cells

2014

N-Heterocyclic carbene gold(I) complexes bearing a fluorescent coumarin ligand were synthesized and characterized by various techniques. The compounds were examined for their antiproliferative effects in normal and tumor cells in vitro; they demonstrated moderate activity and a certain degree of selectivity. The compounds were also shown to efficiently inhibit the selenoenzyme thioredoxin reductase (TrxR), whereas they were poorly effective towards the glutathione reductase (GR) and glutathione peroxidase enzymes. Notably, {3-[(7-methoxy-2-oxo-2H-chromen-4-yl) methyl]-1-methylimidazol-2-ylidene}(tetra-O-acetyl-1-thio-beta-D-glucopyranosido) gold(I) (3) showed a pronounced inhibition of TrxR…

Thioredoxin reductaseGlutathione reductaseMECHANISMSInorganic Chemistrychemistry.chemical_compoundCoumarinsCHEMISTRYTARGETSN-HETEROCYCLIC CARBENESCancerchemistry.chemical_classificationSelenocysteineGlutathione peroxidaseGold; carbenes; coumarins; enzyme; CancerBiological activityLigand (biochemistry)EnzymesenzymechemistryBiochemistryCancer cellIodoacetamideCarbenesANTICANCER AGENTSCOMPLEXESGold
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Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations

2021

Abstract The inhibition of glycerol permeation via human aquaporin-10 (hAQP10) by organometallic gold complexes has been studied by stopped-flow fluorescence spectroscopy, and its mechanism has been described using molecular modelling and atomistic simulations. The most effective hAQP10 inhibitors are cyclometalated Au(III) C^N compounds known to efficiently react with cysteine residues leading to the formation of irreversible C–S bonds. Functional assays also demonstrate the irreversibility of the binding to hAQP10 by the organometallic complexes. The obtained computational results by metadynamics show that the local arylation of Cys209 in hAQP10 by one of the gold inhibitors is mapped int…

waterBiophysicsGlycerol transportirreversible inhibitorsMolecular Dynamics SimulationAquaporinsBiochemistryBiophysical PhenomenaFluorescence spectroscopymetadynamicsBiomaterialsMolecular dynamicsGold CompoundsComputational chemistrygold compoundsHumansOrganogold CompoundsChemistryglycerol transportMetals and AlloysMetadynamicsPermeationSmall moleculeSpectrometry FluorescenceChemistry (miscellaneous)aquaglyceroporinOrganogold Compounds
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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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Exploring the Reactivity and Biological Effects of Heteroleptic N-Heterocyclic Carbene Gold(I)- Alkynyl Complexes

2020

With the aim to explore the effects of different organometallic ligands on the reactivity and biological properties of a series of twelve heteroleptic AuI complexes, of general formula [Au(NHC)(alkynyl)] (NHC = benzimidazolylidene or 1,3-dihydroimidazolylidene) were synthesized and characterized by 1H and 13C NMR and elemental analysis, and in some cases also by X-ray diffraction. The compounds were all stable in H2O/DMSO as established by NMR spectroscopy, while they could react with model thiols (EtSH) in the presence of water to undergo ligand-substitution reactions. 1H NMR experiments showed that dissociation of the more labile alkynyl ligand was possible for all compounds, while in the…

Antitumor agentsAlkyne ligands010405 organic chemistryNuclear magnetic resonance spectroscopy010402 general chemistryG-quadruplexG-quadruplexes01 natural sciencesMedicinal chemistryddc:0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundThiolschemistryReactivity (chemistry)GoldN-heterocyclic carbenesCarbeneDNAEuropean Journal of Inorganic Chemistry
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CCDC 1955879: Experimental Crystal Structure Determination

2020

Related Article: Jens Oberkofler, Brech Aikman, Riccardo Bonsignore, Alexander Pöthig, James Platts, Angela Casini, Fritz E. Kühn|2020|Eur.J.Inorg.Chem.|2020|1040|doi:10.1002/ejic.201901043

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(33-dimethylbut-1-yn-1-yl)-[13-di-isopropylbenzimidazol-2-ylidene]-gold(i)Experimental 3D Coordinates
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CCDC 1913564: Experimental Crystal Structure Determination

2019

Related Article: Samuel M. Meier-Menches, Brech Aikman, Daniel Döllerer, Wim T. Klooster, Simon J. Coles, Nicolò Santi, Louis Luk, Angela Casini, Riccardo Bonsignore|2020|J.Inorg.Biochem.|202|110844|doi:10.1016/j.jinorgbio.2019.110844

Space GroupCrystallographyCrystal System[(pyridin-4-yl)ethynyl]-(1379-tetramethyl-26-dioxo-123679-hexahydro-8H-purin-8-ylidene)-gold(i) unknown solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1941496: Experimental Crystal Structure Determination

2020

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Wim T. Klooster, Simon J. Coles, Robert L. Jenkins, Didier Bourissou, Giampaolo Barone, Angela Casini|2020|Chem.-Eur.J.|26|4226|doi:10.1002/chem.201905392

Space GroupCrystallographyCrystal SystemCrystal Structure7-{2-[(pyridin-2-yl)amino]phenyl}-135-triaza-7-phosphatricyclo[3.3.1.137]decan-7-ium hexafluorophosphateCell ParametersExperimental 3D Coordinates
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CCDC 1916760: Experimental Crystal Structure Determination

2019

Related Article: Samuel M. Meier-Menches, Brech Aikman, Daniel Döllerer, Wim T. Klooster, Simon J. Coles, Nicolò Santi, Louis Luk, Angela Casini, Riccardo Bonsignore|2020|J.Inorg.Biochem.|202|110844|doi:10.1016/j.jinorgbio.2019.110844

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(1-ethyl-379-trimethyl-26-dioxo-236789-hexahydro-1H-purin-8-ylidene)-gold(i) tetrafluoroborate hydrateExperimental 3D Coordinates
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CCDC 1941494: Experimental Crystal Structure Determination

2020

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Wim T. Klooster, Simon J. Coles, Robert L. Jenkins, Didier Bourissou, Giampaolo Barone, Angela Casini|2020|Chem.-Eur.J.|26|4226|doi:10.1002/chem.201905392

Space GroupCrystallography7-{2-[(pyridin-2-yl)methyl]phenyl}-135-triaza-7-phosphatricyclo[3.3.1.137]decan-7-ium hexafluorophosphateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2202919: Experimental Crystal Structure Determination

2022

Related Article: Clemens Kaußler, Darren Wragg, Claudia Schmidt, Guillermo Moreno-Alcántar, Christian Jandl, Johannes Stephan, Roland A. Fischer, Stefano Leoni, Angela Casini, Riccardo Bonsignore|2022|Inorg.Chem.|61|20405|doi:10.1021/acs.inorgchem.2c03041

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-11'-methylenebis(3-methyl-23-dihydro-1H-benzimidazol-2-ylidene))-di-gold(i) bis(hexafluorophosphate) acetonitrile diethyl ether solvateExperimental 3D Coordinates
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CCDC 930540: Experimental Crystal Structure Determination

2016

Related Article: Nicholas Lease, Vadim Vasilevski, Monica Carreira, Andreia de Almeida, Mercedes Sanaú, Pipsa Hirva, Angela Casini, María Contel|2013|J.Med.Chem.|56|5806|doi:10.1021/jm4007615

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesdichloro-(2-(((triphenylphosphoranylidene)amino)methyl)pyridine)-palladium(ii) chloroform solvate
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CCDC 2082255: Experimental Crystal Structure Determination

2021

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Mathilde Rigoulet, Christian Jandl, Alexander P��thig, Didier Bourissou, Giampaolo Barone, Angela Casini|2021|Chem.-Eur.J.|27|14322|doi:10.1002/chem.202102668

Space GroupCrystallographychloro-(2-(2-pyridylmethyl)phenyl)-(2-phenylethynyl)-goldCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2143205: Experimental Crystal Structure Determination

2022

Related Article: Brech Aikman, Riccardo Bonsignore, Ben Woods, Daniel Doellerer, Riccardo Scotti, Claudia Schmidt, Alexandra A. Heidecker, Alexander Pöthig, Edward J. Sayers, Arwyn T. Jones, Angela Casini|2022|Dalton Trans.|51|7476|doi:10.1039/D2DT00337F

Space GroupCrystallographyCrystal SystemCrystal Structuretris(mu-35-bis((pyridin-3-yl)ethynyl)benzoic acid)-(mu-(35-bis((pyridin-3-yl)ethynyl)phenyl)acetate)-di-palladium(ii) tris(tetrafluoroborate) diethyl ether solvateCell ParametersExperimental 3D Coordinates
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CCDC 1500972: Experimental Crystal Structure Determination

2017

Related Article: Julienne K. Muenzner, Bernhard Biersack, Alexander Albrecht, Tobias Rehm, Ulrike Lacher, Wolfgang Milius, Angela Casini, Jing-Jing Zhang, Ingo Ott, Viktor Brabec, Olga Stuchlikova, Ion C. Andronache, Leonard Kaps, Detlef Schuppan, Rainer Schobert|2016|Chem.-Eur.J.|22|18953|doi:10.1002/chem.201604246

Space GroupCrystallographyCrystal Systembis(13-diethyl-4-(ferrocen-1-yl)-5-phenylimidazol-2-ylidene)-gold tetrafluoroborateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 930539: Experimental Crystal Structure Determination

2016

Related Article: Nicholas Lease, Vadim Vasilevski, Monica Carreira, Andreia de Almeida, Mercedes Sanaú, Pipsa Hirva, Angela Casini, María Contel|2013|J.Med.Chem.|56|5806|doi:10.1021/jm4007615

Space GroupCrystallographydichloro-(2-(((diphenyl(ferrocenyl)phosphoranylidene)amino)methyl)pyridine)-palladium(ii) methanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1947336: Experimental Crystal Structure Determination

2020

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Wim T. Klooster, Simon J. Coles, Robert L. Jenkins, Didier Bourissou, Giampaolo Barone, Angela Casini|2020|Chem.-Eur.J.|26|4226|doi:10.1002/chem.201905392

Space GroupCrystallographyCrystal System7-[2-(pyridine-2-carbonyl)phenyl]-135-triaza-7-phosphatricyclo[3.3.1.137]decan-7-ium hexafluorophosphateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1955877: Experimental Crystal Structure Determination

2020

Related Article: Jens Oberkofler, Brech Aikman, Riccardo Bonsignore, Alexander Pöthig, James Platts, Angela Casini, Fritz E. Kühn|2020|Eur.J.Inorg.Chem.|2020|1040|doi:10.1002/ejic.201901043

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters[13-di-isopropylbenzimidazol-2-ylidene]-[naphthalen-1-ylethynyl]-gold(i)Experimental 3D Coordinates
researchProduct

CCDC 2082254: Experimental Crystal Structure Determination

2021

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Mathilde Rigoulet, Christian Jandl, Alexander Pöthig, Didier Bourissou, Giampaolo Barone, Angela Casini|2021|Chem.-Eur.J.|27|14322|doi:10.1002/chem.202102668

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(6-benzylidene-611-dihydropyrido[12-b]isoquinolin-5-ium)-chloro-gold chloro-(6-phenyl-12H-pyrido[21-b][3]benzazepin-5-ium)-gold(i) chloroform solvateExperimental 3D Coordinates
researchProduct

CCDC 1955875: Experimental Crystal Structure Determination

2020

Related Article: Jens Oberkofler, Brech Aikman, Riccardo Bonsignore, Alexander Pöthig, James Platts, Angela Casini, Fritz E. Kühn|2020|Eur.J.Inorg.Chem.|2020|1040|doi:10.1002/ejic.201901043

Space GroupCrystallographyCrystal System(13-dimethylbenzimidazol-2-ylidene)-[(naphthalen-1-yl)ethynyl]-gold(i)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2202918: Experimental Crystal Structure Determination

2022

Related Article: Clemens Kaußler, Darren Wragg, Claudia Schmidt, Guillermo Moreno-Alcántar, Christian Jandl, Johannes Stephan, Roland A. Fischer, Stefano Leoni, Angela Casini, Riccardo Bonsignore|2022|Inorg.Chem.|61|20405|doi:10.1021/acs.inorgchem.2c03041

Space GroupCrystallographyCrystal Systembis(mu-11'-(ethane-12-diyl)bis(3-methyl-23-dihydro-1H-benzimidazol-2-ylidene))-di-gold(i) bis(hexafluorophosphate) acetonitrile solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1955876: Experimental Crystal Structure Determination

2020

Related Article: Jens Oberkofler, Brech Aikman, Riccardo Bonsignore, Alexander Pöthig, James Platts, Angela Casini, Fritz E. Kühn|2020|Eur.J.Inorg.Chem.|2020|1040|doi:10.1002/ejic.201901043

Space GroupCrystallography[13-dimesitylimidazol-2-ylidene]-[(naphthalen-1-yl)ethynyl]-gold(i)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 977990: Experimental Crystal Structure Determination

2014

Related Article: Malgorzata Frik, Josefina Jiménez, Vadim Vasilevski, Monica Carreira, Andreia de Almeida, Elena Gascón, Farrah Benoit, Mercedes Sanaú, Angela Casini, María Contel|2014|Inorg.Chem.Front.|1|231|doi:10.1039/C4QI00003J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersdichloro-(8-((triphenylphosphoranylidene)amino)quinoline)-gold(iii) perchlorate acetone solvateExperimental 3D Coordinates
researchProduct

CCDC 2202916: Experimental Crystal Structure Determination

2022

Related Article: Clemens Kaußler, Darren Wragg, Claudia Schmidt, Guillermo Moreno-Alcántar, Christian Jandl, Johannes Stephan, Roland A. Fischer, Stefano Leoni, Angela Casini, Riccardo Bonsignore|2022|Inorg.Chem.|61|20405|doi:10.1021/acs.inorgchem.2c03041

Space GroupCrystallographyCrystal System11'-(propane-13-diyl)bis(3-methyl-1H-benzimidazol-3-ium) bis[tetrafluoroborate]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2082253: Experimental Crystal Structure Determination

2021

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Mathilde Rigoulet, Christian Jandl, Alexander Pöthig, Didier Bourissou, Giampaolo Barone, Angela Casini|2021|Chem.-Eur.J.|27|14322|doi:10.1002/chem.202102668

Space GroupCrystallographyCrystal Systemchloro-(2-(2-pyridylmethyl)phenyl)-(2-phenylethynyl)-gold(iii)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 977991: Experimental Crystal Structure Determination

2014

Related Article: Malgorzata Frik, Josefina Jiménez, Vadim Vasilevski, Monica Carreira, Andreia de Almeida, Elena Gascón, Farrah Benoit, Mercedes Sanaú, Angela Casini, María Contel|2014|Inorg.Chem.Front.|1|231|doi:10.1039/C4QI00003J

Space GroupCrystallographyCrystal Systemdichloro-(8-((triphenylphosphoranylidene)amino)quinoline)-palladium(ii) chloroform solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2202920: Experimental Crystal Structure Determination

2022

Related Article: Clemens Kaußler, Darren Wragg, Claudia Schmidt, Guillermo Moreno-Alcántar, Christian Jandl, Johannes Stephan, Roland A. Fischer, Stefano Leoni, Angela Casini, Riccardo Bonsignore|2022|Inorg.Chem.|61|20405|doi:10.1021/acs.inorgchem.2c03041

Space GroupCrystallographyCrystal SystemCrystal Structurebis(bis(mu-77'-(propane-13-diyl)bis(139-trimethyl-26-dioxo-236789-hexahydro-1H-purin-8-ylidene))-di-gold(i)) tetrakis(hexafluorophosphate) NN-dimethylformamide diethyl ether solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1968702: Experimental Crystal Structure Determination

2020

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Wim T. Klooster, Simon J. Coles, Robert L. Jenkins, Didier Bourissou, Giampaolo Barone, Angela Casini|2020|Chem.-Eur.J.|26|4226|doi:10.1002/chem.201905392

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterschloro-[2-(pyridine-2-carbonyl)phenyl]-bis(triphenylphosphine)-gold(iii) hexafluorophosphate ethyl acetate solvateExperimental 3D Coordinates
researchProduct

CCDC 1940532: Experimental Crystal Structure Determination

2019

Related Article: Samuel M. Meier-Menches, Brech Aikman, Daniel Döllerer, Wim T. Klooster, Simon J. Coles, Nicolò Santi, Louis Luk, Angela Casini, Riccardo Bonsignore|2020|J.Inorg.Biochem.|202|110844|doi:10.1016/j.jinorgbio.2019.110844

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters([4-(28-diethyl-55-difluoro-1379-tetramethyl-5H-45-dipyrrolo[12-c:2'1'-f][132]diazaborinin-10-yl)phenyl]ethynyl)-(1379-tetramethyl-26-dioxo-236789-hexahydro-1H-purin-8-yl)-gold unknown solvateExperimental 3D Coordinates
researchProduct

CCDC 2096758: Experimental Crystal Structure Determination

2021

Related Article: Riccardo Bonsignore, Sophie R. Thomas, Mathilde Rigoulet, Christian Jandl, Alexander Pöthig, Didier Bourissou, Giampaolo Barone, Angela Casini|2021|Chem.-Eur.J.|27|14322|doi:10.1002/chem.202102668

Space GroupCrystallographyCrystal System{2-[(pyridin-2-yl)methyl]phenyl}-bis(thiophen-2-yl)-gold(iii)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2202917: Experimental Crystal Structure Determination

2022

Related Article: Clemens Kaußler, Darren Wragg, Claudia Schmidt, Guillermo Moreno-Alcántar, Christian Jandl, Johannes Stephan, Roland A. Fischer, Stefano Leoni, Angela Casini, Riccardo Bonsignore|2022|Inorg.Chem.|61|20405|doi:10.1021/acs.inorgchem.2c03041

bis(mu-77'-(ethane-12-diyl)bis(139-trimethyl-26-dioxo-236789-hexahydro-1H-purin-8-ylidene))-di-gold(i) bis(hexafluorophosphate) NN-dimethylformamide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1955878: Experimental Crystal Structure Determination

2020

Related Article: Jens Oberkofler, Brech Aikman, Riccardo Bonsignore, Alexander Pöthig, James Platts, Angela Casini, Fritz E. Kühn|2020|Eur.J.Inorg.Chem.|2020|1040|doi:10.1002/ejic.201901043

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters[13-dimesitylimidazol-2-ylidene]-(33-dimethylbut-1-yn-1-yl)-gold benzene solvateExperimental 3D Coordinates
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