0000000000454399

AUTHOR

Andrew Duthie

showing 9 related works from this author

Dibutyltin(IV) complexes containing arylazobenzoate ligands: chemistry, in vitro cytotoxic effects on human tumor cell lines and mode of interaction …

2009

Dibutyltin(IV) complexes of composition Bu2Sn (LH)2, where LH is a carboxylate residue derived from 2-[(E)- (5-tert-butyl-2- hydroxyphenyl)diazenyl]benzoate (L1H) with water molecule (1), 4-[(E)-(5-tert-butyl-2-hydroxyphenyl) diazenyl]benzoate (L2H) (2) and 4-[(E)-(4-hydroxy-5- methylphenyl)diazenyl]benzoate (L3H) (3), were synthesized and characterized by spectroscopic (1H, 13C and 119Sn NMR, IR, 119Sn Mössbauer) techniques. A full characterization was accomplished from the crystal structure of complex 1. The molecular structures and geometries of the complexes (1a i.e. 1 without water molecule and 3) were fully optimized using the quantum mechanical method (PM6). Complexes 1 and 3 were fo…

Models MolecularStereochemistryMolecular ConformationCrystallography X-RayLigandsThymidylate synthaseAnti-cancer drugchemistry.chemical_compoundCell Line TumorRibonucleotide ReductasesOrganotin CompoundsMoleculeHumansPharmacology (medical)CarboxylateArylazobenzoateSpectroscopyPharmacologychemistry.chemical_classificationBinding SitesbiologyCell DeathTopoisomeraseHydrogen BondingThymidylate SynthaseIn vitroEnzymesRibonucleotide reductaseEnzymeDNA Topoisomerases Type IIOncologychemistrySettore CHIM/03 - Chimica Generale E InorganicaDocking (molecular)Docking studieDibutyltin(IV) compoundbiology.proteinQuantum TheoryDrug Screening Assays AntitumorCell lineInvestigational new drugs
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Synthesis, photophysical properties and structures of organotin-Schiff bases utilizing aromatic amino acid from the chiral pool and evaluation of the…

2017

Abstract Five new organotin(IV) complexes of compositions [Me 2 SnL 1 ] ( 1 ), [Me 2 SnL 2 ] n ( 2 ), [Me 2 SnL 3 ] ( 3 ), [Ph 3 SnL 1 H] n ( 4 ) and [Ph 3 SnL 3 H] ( 5 ) (where L 1  = (2 S )-2-(( E )-(( Z )-4-hydroxypent-3-en-2-ylidene)amino)-3-(1 H -indol-3-yl)propanoate, L 2  = (2 S )-( E )-2-((2-hydroxybenzylidene)amino)-3-(1 H -indol-3-yl)propanoate and L 3  = (2 S )-( E )-2-((1-(2-hydroxyphenyl)ethylidene)amino)-3-(1 H -indol-3-yl)propanoate were synthesized and spectroscopically characterized. The crystal structures of 1 – 4 were determined. For the dimethyltin derivative 2 , a polymeric chain structure was observed as a result of a long Sn∙∙∙O contact involving the exocyclic carbony…

Models MolecularCell SurvivalStereochemistryAntineoplastic AgentsCrystal structureChiral Schiff baseCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryInorganic ChemistryAmino Acids AromaticInhibitory Concentration 50chemistry.chemical_compoundBromideCell Line TumorRiboseOrganotin CompoundsHumansSchiff BasesSpectroscopyX-ray crystallographyCoordination geometrychemistry.chemical_classificationCyclodextrin010405 organic chemistryLigandA375 (human melanoma) cell lineTryptophanStereoisomerismPhotochemical ProcessesOrganotin(IV) compound0104 chemical sciencesMolecular Docking SimulationMonomerchemistrySettore CHIM/03 - Chimica Generale E InorganicaDerivative (chemistry)Journal of Inorganic Biochemistry
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New Insights into the Classic Chiral Grignard Reagent (1R,2S,5R)-Menthylmagnesium Chloride

2006

ChemistrymedicineOrganic chemistryGeneral MedicineGeneral ChemistryGrignard reagentChlorideCatalysismedicine.drugAngewandte Chemie International Edition
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Molecular basis of the interaction of novel tributyltin(IV) 2/4-[(E)-2-(aryl)-1-diazenyl] benzoates endowed with an improved cytotoxic profile: Synth…

2010

A series of tributyltin(IV) complexes based on 2/4-[(E)-2-(aryl)-1-diazenyl]benzoate ligands was synthesized, wherein the position of the carboxylate and aryl substituents (methyl, tert-butyl and hydroxyl) varies. The complexes, Bu(3)SnL(1-4)H (1-4), have been structurally characterized by elemental analysis and IR, NMR ((1)H, (13)C, and (119)Sn) and (119)Sn Mossbauer spectroscopy. All have a tetrahedral geometry in solution and a trigonal bipyramidal geometry in the solid-state, except for Bu(3)SnL(4)H (4) that was ascertained to have tetrahedral coordination by X-ray crystallography. Cytotoxicity studies were carried out on human tumor cell lines A498 (renal cancer), EVSA-T (mammary cance…

Models MolecularQuantitative structure–activity relationshipMagnetic Resonance SpectroscopyStereochemistryCell SurvivalANTITUMOR-ACTIVITYHydrophobicityQuantitative Structure-Activity RelationshipAntineoplastic AgentsCrystallography X-RayBiochemistryBenzoatesVALIDATIONInorganic Chemistrychemistry.chemical_compoundAnti-cancer drugCell Line TumorOrganotin CompoundsTRIORGANOTIN(IV) COMPLEXESHumansCRYSTAL-STRUCTURESCarboxylateOPTIMIZATIONArylazobenzoateSpectroscopyX-ray crystallographyMolecular StructureQSARArylTetrahedral molecular geometryNuclear magnetic resonance spectroscopyBenzoatesTributyltin(IV) compoundTrigonal bipyramidal molecular geometryMOSQUITO LARVAEchemistryCELL-DEATHDocking (molecular)Settore CHIM/03 - Chimica Generale E InorganicaDocking studies RIBONUCLEOTIDE REDUCTASE INHIBITORSEMIEMPIRICAL METHODSTrialkyltin CompoundsCell lineAEDES-AEGYPTI
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An in vitro comparative assessment with a series of new triphenyltin(IV) 2-/4-[(E)-2-(aryl)-1-diazenyl]benzoates endowed with anticancer activities: …

2012

Four new triphenyltin(IV) complexes of composition Ph 3SnLH (where LH = 2-/4-[(E)-2-(aryl)-1-diazenyl]benzoate) (1-4) were synthesized and characterized by spectroscopic ( 1H, 13C and 119Sn NMR, IR, 119Sn Mössbauer) techniques in combination with elemental analysis. The 119Sn NMR spectroscopic data indicate a tetrahedral coordination geometry in non-coordinating solvents. The crystal structures of three complexes, Ph 3SnL 1H (1), Ph 3SnL 3H (3), Ph 3SnL 4H (4), were determined. All display an essentially tetrahedral geometry with angles ranging from 93.50(8) to 124.5(2)°; 119Sn Mössbauer spectral data support this assignment. The cytotoxicity studies were performed with complexes 1-4, along…

Models MolecularTriphenyltin(IV) benzoatesCell SurvivalStereochemistryMolecular ConformationQuantitative Structure-Activity RelationshipAntineoplastic AgentsStereoisomerismCrystal structureCrystallography X-RayBenzoatesBiochemistryInorganic ChemistryAnti-cancer drugInhibitory Concentration 50chemistry.chemical_compoundCell Line TumorOrganotin CompoundsHumansCytotoxicityCoordination geometryQSARHydrogen bondArylTetrahedral molecular geometryHydrogen BondingStereoisomerismBenzoateschemistrySettore CHIM/03 - Chimica Generale E InorganicaCell lineTriphenyltin(IV) 2-/4-[(E)-2-(aryl)-1-diazenyl]benzoateJournal of Inorganic Biochemistry
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CCDC 1431712: Experimental Crystal Structure Determination

2017

Related Article: Tushar S. Basu Baul, Pelesakuo Kehie, Andrew Duthie, Nikhil Guchhait, Nune Raviprakash, Raveendra B. Mokhamatam, Sunil K. Manna, Nerina Armata, Michelangelo Scopelliti, f, Ruimin Wang, Ulli Englert|2017|J.Inorg.Biochem.|168|76|doi:10.1016/j.jinorgbio.2016.12.001

Space GroupCrystallography(N-(4-oxidopent-3-en-2-ylidene)tryptophanato)-dimethyl-tin(iv)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1431713: Experimental Crystal Structure Determination

2017

Related Article: Tushar S. Basu Baul, Pelesakuo Kehie, Andrew Duthie, Nikhil Guchhait, Nune Raviprakash, Raveendra B. Mokhamatam, Sunil K. Manna, Nerina Armata, Michelangelo Scopelliti, f, Ruimin Wang, Ulli Englert|2017|J.Inorg.Biochem.|168|76|doi:10.1016/j.jinorgbio.2016.12.001

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[(mu-N-(2-oxidobenzylidene)tryptophanato)-dimethyl-tin(iv)]Cell ParametersExperimental 3D Coordinates
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CCDC 1431715: Experimental Crystal Structure Determination

2017

Related Article: Tushar S. Basu Baul, Pelesakuo Kehie, Andrew Duthie, Nikhil Guchhait, Nune Raviprakash, Raveendra B. Mokhamatam, Sunil K. Manna, Nerina Armata, Michelangelo Scopelliti, f, Ruimin Wang, Ulli Englert|2017|J.Inorg.Biochem.|168|76|doi:10.1016/j.jinorgbio.2016.12.001

catena-[(mu-N-(4-oxopent-2-en-2-yl)tryptophanato)-triphenyl-tin(iv)]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1431714: Experimental Crystal Structure Determination

2017

Related Article: Tushar S. Basu Baul, Pelesakuo Kehie, Andrew Duthie, Nikhil Guchhait, Nune Raviprakash, Raveendra B. Mokhamatam, Sunil K. Manna, Nerina Armata, Michelangelo Scopelliti, f, Ruimin Wang, Ulli Englert|2017|J.Inorg.Biochem.|168|76|doi:10.1016/j.jinorgbio.2016.12.001

(N-(1-(2-oxidophenyl)ethylidene)tryptophanato)-dimethyl-tin(iv)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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