Search results for " DOC"

showing 10 items of 1281 documents

CCDC 983272: Experimental Crystal Structure Determination

2015

Related Article: Javier Pitarch-Jarque, Raquel Belda, Francesc Lloret, Jesús Ferrando-Soria, Pilar Navarro, Alberto Lopera, Enrique García-España|2015|Dalton Trans.|44|3378|doi:10.1039/C4DT03650F

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-147811141720212429323336-tetradecaazapentacyclo[12.12.12.169.11922.13134]hentetraconta-6(41)81922(40)31(39)33-hexaene-72132-triyl)-diaqua-hexa-copper hexakis(4-methylbenzenesulfonate) docosahydrateExperimental 3D Coordinates
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CCDC 958832: Experimental Crystal Structure Determination

2014

Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Laura Cañadillas-Delgado, Jorge Pasán, Ana Labrador, Francesc Lloret, Miguel Julve, and Catalina Ruiz-Pérez|2013|Cryst.Growth Des.|13|4735|doi:10.1021/cg4008679

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu2-benzene-1245-tetracarboxylate)-hexacosakisaqua-tetra-copper-tetra-neodymium docosahydrate]Experimental 3D Coordinates
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CCDC 1049501: Experimental Crystal Structure Determination

2015

Related Article: Alina S. Dinca, Sergiu Shova, Adrian E. Ion, Catalin Maxim, Francesc Lloret, Miguel Julve, Marius Andruh|2015|Dalton Trans.|44|7148|doi:10.1039/C5DT00778J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(mu3-11'-Pyridine-26-diylbis(3-oxobut-1-en-1-olato))-(mu2-oxalato)-octa-aqua-bis(oxalato)-tetra-nickel-di-gadolinium docosahydrateExperimental 3D Coordinates
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CCDC 1823994: Experimental Crystal Structure Determination

2018

Related Article: Marta Mon, Rosaria Bruno, Jesús Ferrando-Soria, Lucia Bartella, Leonardo Di Donna, Marianna Talia, Rosamaria Lappano, Marcello Maggiolini, Donatella Armentano, Emilio Pardo|2018|Materials Horizons|5|683|doi:10.1039/C8MH00302E

Space GroupCrystallographyCrystal Systemcatena-[2-(t-butylamino)-1-(3-chlorophenyl)propan-1-one tris(mu-22'-[(12-dioxoethane-12-diyl)diimino]bis(3-hydroxypropanoato))-bis(mu-hydroxo)-(mu-aqua)-calcium-hexa-copper(ii) clathrate docosahydrate]Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1938637: Experimental Crystal Structure Determination

2019

Related Article: Lucas H. G. Kalinke, Danielle Cangussu, Marta Mon, Rosaria Bruno, Estefania Tiburcio, Francesc Lloret, Donatella Armentano, Emilio Pardo, Jesus Ferrando-Soria|2019|Inorg.Chem.|58|14498|doi:10.1021/acs.inorgchem.9b02086

Space GroupCrystallographyCrystal Systemcatena-[bis(mu-22'2''-{nitrilotris[(41-phenylene)azanediyl]}tris(oxoacetic acid))-pentadeca-aqua-di-cobalt-tri-holmium trinitrate docosahydrate]Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1938635: Experimental Crystal Structure Determination

2019

Related Article: Lucas H. G. Kalinke, Danielle Cangussu, Marta Mon, Rosaria Bruno, Estefania Tiburcio, Francesc Lloret, Donatella Armentano, Emilio Pardo, Jesus Ferrando-Soria|2019|Inorg.Chem.|58|14498|doi:10.1021/acs.inorgchem.9b02086

Space GroupCrystallographyCrystal Systemcatena-[bis(mu-22'2''-{nitrilotris[(41-phenylene)azanidediyl]}tris(oxoacetato))-dodeca-aqua-tri-calcium-di-cobalt docosahydrate]Crystal StructureCell ParametersExperimental 3D Coordinates
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Molecular mechanism of T-cell protein tyrosine phosphatase (TCPTP) activation by mitoxantrone.

2013

T-cell protein tyrosine phosphatase (TCPTP) is a ubiquitously expressed non-receptor protein tyrosine phosphatase. It is involved in the negative regulation of many cellular signaling pathways. Thus, activation of TCPTP could have important therapeutic applications in diseases such as cancer and inflammation. We have previously shown that the α-cytoplasmic tail of integrin α1β1 directly binds and activates TCPTP. In addition, we have identified in a large-scale high-throughput screen six small molecules that activate TCPTP. These small molecule activators include mitoxantrone and spermidine. In this study, we have investigated the molecular mechanism behind agonist-induced TCPTP activation.…

SpermidineProtein tyrosine phosphataseBiochemistryAnalytical Chemistry0302 clinical medicinePhosphorylationDatabases Protein0303 health sciencesProtein Tyrosine Phosphatase Non-Receptor Type 2biologyChemistrySmall molecule3. Good healthCell biologyisothermal titration calorimetryMolecular Docking Simulationmolecular dynamics simulation030220 oncology & carcinogenesis/dk/atira/pure/sustainabledevelopmentgoals/good_health_and_well_beingThermodynamicsHydrophobic and Hydrophilic InteractionsProtein BindingSignal TransductionCell signalingintegrinIntegrinPhosphataseStatic ElectricityBiophysicsAntineoplastic AgentsMolecular Dynamics Simulationta3111mitoxantroneIntegrin alpha1beta1Small Molecule Libraries03 medical and health sciencesSDG 3 - Good Health and Well-beingdifferential scanning fluorimetryHumansBinding siteMolecular Biology030304 developmental biologyT-cell protein tyrosine phosphataseta1182ta3122In vitroProtein Structure TertiaryKineticsCytoplasmbiology.proteinMitoxantronePeptidesBiochimica et Biophysica Acta: Proteins and Proteomics
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Study of the themes and contents of the doctoral theses carried out in Spain on Sports Biomechanics

2022

El objeto del estudio es conocer y valorar la evolución de las temáticas y contenidos de las tesis doctorales que se han leído en España sobre Biomecánica Deportiva durante el periodo comprendido entre los años 1980 y 2019. La muestra está compuesta de 233 tesis después de un proceso de selección con el uso de criterios de inclusión/exclusión y términos de búsqueda específicos. Los resultados demuestran que existe un crecimiento progresivo en la producción de tesis doctorales a lo largo del tiempo con incrementos progresivos, especialmente en el tercer y cuarto periodo. Los campos temáticos con mayor número de tesis leídas son los de Biomecánica de Apoyo y de Biomecánica Aplicada. El campo …

Sport biomechanicsResearchInvestigación documentalInvestigaciónDoctoral thesesDocumentary researchDeporteTesis doctoralesBiomecánica deportivaSport
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Low density lipoproteins and human serum albumin as the carriers of squalenoylated drugs: insights from molecular simulations

2018

We have studied the interaction of three clinically promising squalenoylated drugs (gemcitabine-squalene, adenine-squalene, and doxorubicin-squalene) with low-density lipoproteins (LDL) by means of atomistic molecular dynamics simulations. It is shown that all studied squalenoylated drugs accumulate inside the LDL particles. This effect is promoted by the squalene moiety, which acts as an anchor and drives the hydrophilic drugs into the hydrophobic core of the LDL lipid droplet. Our data suggest that LDL particles could be a universal carriers of squalenoylated drugs in the bloodstream. Interaction of gemcitabine-squalene with human serum albumin (HSA) was also studied by ensemble of dockin…

Squalene[PHYS.PHYS.PHYS-BIO-PH]Physics [physics]/Physics [physics]/Biological Physics [physics.bio-ph]Drug CompoundingPharmaceutical ScienceSerum Albumin Human02 engineering and technologyPlasma protein bindingMolecular Dynamics Simulation010402 general chemistry01 natural sciencesMolecular Docking SimulationDeoxycytidineSqualenechemistry.chemical_compound[ PHYS.PHYS.PHYS-BIO-PH ] Physics [physics]/Physics [physics]/Biological Physics [physics.bio-ph]Lipid dropletDrug DiscoverymedicineMoietyHumansComputingMilieux_MISCELLANEOUSDrug CarriersBinding SitesAdenine[SDV.SP]Life Sciences [q-bio]/Pharmaceutical sciences021001 nanoscience & nanotechnologyHuman serum albuminGemcitabine3. Good health0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryLipoproteins LDLMolecular Docking Simulation[ SDV.SP ] Life Sciences [q-bio]/Pharmaceutical scienceschemistryDocking (molecular)Doxorubicin[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryBiophysicsMolecular MedicineNanoparticles0210 nano-technologyDrug carrierHydrophobic and Hydrophilic Interactionsmedicine.drugProtein Binding
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Pyrrolomycins as antimicrobial agents. Microwave-assisted organic synthesis and insights into their antimicrobial mechanism of action

2019

Abstract New compounds able to counteract staphylococcal biofilm formation are needed. In this study we investigate the mechanism of action of pyrrolomycins, whose potential as antimicrobial agents has been demonstrated. We performed a new efficient and easy method to use microwave organic synthesis suitable for obtaining pyrrolomycins in good yields and in suitable amount for their in vitro in-depth investigation. We evaluate the inhibitory activity towards Sortase A (SrtA), a transpeptidase responsible for covalent anchoring in Gram-positive peptidoglycan of many surface proteins involved in adhesion and in biofilm formation. All compounds show a good inhibitory activity toward SrtA, havi…

Staphylococcus aureusClinical BiochemistryPharmaceutical ScienceMicrobial Sensitivity Testsmedicine.disease_causeSettore BIO/19 - Microbiologia Generale01 natural sciencesBiochemistrychemistry.chemical_compoundBacterial ProteinsDrug DiscoverymedicinePyrrolesEnzyme InhibitorsMicrowavesMolecular BiologyEnzyme Assays010405 organic chemistryChemistryOrganic ChemistryBiofilmN-Acetylmuramoyl-L-alanine AmidaseAntimicrobialAminoacyltransferasesAntimicrobial resistance Pyrrolomycins Sortase A Staphylococcus aureus In-silico docking studies MAOS Pharmacokinetics studies Murein hydrolase activitySettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesAnti-Bacterial AgentsMolecular Docking Simulation010404 medicinal & biomolecular chemistryCysteine EndopeptidasesBiochemistryMechanism of actionDocking (molecular)Staphylococcus aureusSettore CHIM/03 - Chimica Generale E InorganicaSortase ABiofilmsPseudomonas aeruginosaMolecular MedicineOrganic synthesisPeptidoglycanmedicine.symptom
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