Search results for "Catalysis"

showing 10 items of 5944 documents

Lanthanum-pyBOX complexes as catalysts for the enantioselective conjugate addition of malonate esters to β,γ-unsaturated α-ketimino esters

2018

[EN] In this paper, we report the application of chiral complexes of La(III) with pyBOX ligands as Lewis acid catalysts in the conjugate addition of malonic esters to N-tosyl imines derived from ß,gamma-unsaturated alfa-keto esters to give the corresponding chiral alfa,ß-dehydroamino esters. pyBOX complexes with La(III), Yb(III), Sc(III), and In(III) triflates were assessed in this reaction but only La(III) showed good activity and enantioselectivity, while Yb(III) provided the expected product with low yield and stereoselectivity, and the Sc(III) and In(III) complexes were completely inactive. The complex of La(OTf)3 with the diphenyl-pyBOX ligand prepared in situ provided the best results…

Double bondEnantioselectivity010402 general chemistry01 natural sciencesMedicinal chemistrychemistry.chemical_compoundCatàlisiMichael additionAsymmetric catalysisMaterials ChemistryLewis acids and basesPhysical and Theoretical Chemistrychemistry.chemical_classification010405 organic chemistryDiastereomerEnantioselective synthesisLanthanide complexes0104 chemical sciencesMalonatechemistryFISICA APLICADAMichael reactionStereoselectivityEnantiomerQuímica orgànica
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Catalytic Asymmetric Formal [3+2] Cycloaddition of 2-Isocyanatomalonate Esters and Unsaturated Imines: Synthesis of Highly Substituted Chiral γ-Lacta…

2017

[EN] Unlike their isocyano and isothiocyanato analogues, isocyanato esters remain almost unexplored as formal 1,3-dipoles in asymmetric catalytic reactions. The first asymmetric formal [3+2] cycloaddition involving isocyanato esters and electrophilic alkenes is reported. Diisopropyl 2-isocyanatomalonate reacts with a,b-unsaturated N-(o-anisidyl) imines in the presence of a Mg(OTf)2¿BOX complex to give highly substituted chiral pyrrolidinones featuring a conjugate exocyclic double bond with excellent yields and enantiomeric excesses up to 99%. Several transformations of the resulting heterocycles, including the synthesis of a pyroglutamic acid derivative, have been carried out.

Double bondLactamsStereochemistryMolecular ConformationStereoisomerismEnantioselectivityAlkenes010402 general chemistryCrystallography X-Ray01 natural sciencesCatalysisCatàlisiCoordination ComplexesAsymmetric catalysisMagnesiumPyrrolidinoneschemistry.chemical_classificationNucleophilic additionCycloaddition Reaction010405 organic chemistryNitrogen heterocyclesOrganic ChemistryEnantioselective synthesisEstersStereoisomerismGeneral ChemistryCycloadditionMalonates0104 chemical scienceschemistryFISICA APLICADAElectrophileIminesEnantiomerNucleophilic additionQuímica orgànicaIsocyanatesChemistry (Weinheim an der Bergstrasse, Germany)
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The Existence of Nitrate Radicals in Irradiated TiO 2 Aqueous Suspensions in the Presence of Nitrate Ions

2018

Evidence of the existence of nitrate radical in irradiated aqueous TiO2 suspensions in the presence of nitrate ions are reported for the first time. The joint use of UV/Vis and EPR spectroscopy showed that nitrate radicals are formed by hole induced oxidation of nitrate ions. Photocatalytic degradation of a model alkene compound allowed to highlight the presence of an intermediate organic nitrate deriving from nitrate radical attack to the double bond of the substrate. These results not only allow deeper understanding of photocatalytic processes, but open the route to new green photocatalytic syntheses initiated by nitrate radicals and to new insights in the field of atmospheric chemistry.

Double bondRadical010402 general chemistryPhotochemistry01 natural sciencesCatalysisCatalysiCatalysislaw.inventionphotocatalysichemistry.chemical_compoundNitratenitratelawTiO2Electron paramagnetic resonancechemistry.chemical_classificationradicalAqueous solution010405 organic chemistryAlkeneChemistry (all)General MedicineGeneral Chemistrynitrate; photocatalysis; radicals; TiO2; Catalysis; Chemistry (all)radicals0104 chemical scienceschemistryPhotocatalysisSettore CHIM/07 - Fondamenti Chimici Delle TecnologiephotocatalysisAngewandte Chemie International Edition
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Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand.

2017

The new aminoalcohol phenol 2,4-di-tert-butyl-6-(((2-hydroxy-2-phenylethyl)amino)methyl)phenol (H2L) was prepared by a facile solvent-free synthesis and used as a tridentate ligand for new cis-dioxomolybdenum(vi)(L) complexes. In the presence of a coordinating solvent (DMSO, MeOH, pyridine), the complexes crystallise as monomeric solvent adducts while in the absence of such molecules, a trimer with asymmetric Mo[double bond, length as m-dash]O→Mo bridges crystallises. The complexes can catalyse epoxidation of cis-cyclooctene and sulfoxidation of methyl-p-tolylsulfide, using tert-butyl hydroperoxide as oxidant.

Double bondTrimer010402 general chemistry01 natural sciencesMedicinal chemistrycatalystsCatalysisAdductInorganic Chemistrychemistry.chemical_compoundkatalyytitmolybdenumPyridineOrganic chemistrycoordination complexesta116chemistry.chemical_classificationkemiallinen synteesi010405 organic chemistryLigandkompleksiyhdisteet0104 chemical sciencesSolventMonomerchemistrymolybdeenichemical synthesisDalton transactions (Cambridge, England : 2003)
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Controlling the Stealth Effect of Nanocarriers through Understanding the Protein Corona

2016

The past decade has seen a significant increase in interest in the use of polymeric nanocarriers in medical applications. In particular, when used as drug vectors in targeted delivery, nanocarriers could overcome many obstacles for drug therapy. Nevertheless, their application is still impeded by the complex composition of the blood proteins covering the particle surface, termed the protein corona. The protein corona complicates any prediction of cell interactions, biodistribution, and toxicity. In particular, the unspecific uptake of nanocarriers is a major obstacle in clinical studies. This Minireview provides an overview of what we currently know about the characteristics of the protein …

Drug CarriersBiodistributionChemistryPolymeric nanocarriersNanotechnologyProtein Corona02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCatalysis0104 chemical sciencesDrug Delivery SystemsDrug deliveryHumansNanoparticlesProtein CoronaNanocarriers0210 nano-technologyAngewandte Chemie International Edition
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Can NF-κB Be Considered a Valid Drug Target in Neoplastic Diseases? Our Point of View

2020

Multidrug resistance (MDR), of the innate and acquired types, is one of major problems in treating tumor diseases with a good chance of success. In this review, we examine the key role of nuclear factor-kappa B (NF-κB) to induce MDR in three tumor models characterized precisely by innate or acquired MDR, in particular triple negative breast cancer (TNBC), hepatocellular carcinoma (HCC), and acute myeloid leukemia (AML). We also present different pharmacological approaches that our group have employed to reduce the expression/activation of this transcriptional factor and thus to restore chemo-sensitivity. Finally, we examine the latest scientific evidence found by other groups, the most sign…

Drug targetAntineoplastic AgentsReviewCatalysisNF-κBdrug targetlcsh:ChemistryInorganic Chemistrychemistry.chemical_compoundNeoplasmsMDRmedicineBiomarkers TumorcancerAnimalsHumansMolecular Targeted TherapyPhysical and Theoretical Chemistrylcsh:QH301-705.5Molecular BiologySpectroscopyTriple-negative breast cancerbusiness.industryOrganic ChemistryNF-kappa BCancerMyeloid leukemiaNF-κBGeneral Medicinemedicine.diseaseComputer Science ApplicationsMultiple drug resistanceClinical trialCell Transformation Neoplasticlcsh:Biology (General)lcsh:QD1-999chemistryDrug Resistance NeoplasmHepatocellular carcinomaCancer researchSettore BIO/14 - FarmacologiaDisease SusceptibilitybusinessInternational Journal of Molecular Sciences
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CYP3 phylogenomics: evidence for positive selection of CYP3A4 and CYP3A7.

2008

CYP3A metabolizes 50% of currently prescribed drugs and is frequently involved in clinically relevant drug interactions. The understanding of roles and regulations of the individual CYP3A genes in pharmacology and physiology is incomplete.Using genomic sequences from 16 species we investigated the evolution of CYP3 genomic loci over a period of 450 million years.CYP3A genes in amniota evolved from two ancestral CYP3A genes. Upon the emergence of eutherian mammals, one of them was lost, whereas, the other acquired a novel genomic environment owing to translocation. In primates, CYP3A underwent rapid evolutionary changes involving multiple gene duplications, deletions, pseudogenizations, and …

DrugDNA Complementarymedia_common.quotation_subjectMolecular Sequence DataGenomicsBiologyCatalysisCytochrome P-450 Enzyme SystemSpecies SpecificityPhylogenomicsSequence Homology Nucleic AcidGeneticsAnimalsHumansGeneral Pharmacology Toxicology and PharmaceuticsMolecular BiologyGeneGenetics (clinical)CYP3A7media_commonComparative genomicsGeneticsCYP3A4Base SequenceGenomicsIsoenzymesMolecular MedicinePharmacogeneticsPharmacogenetics and genomics
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Modeling caspase-1 inhibition: Implications for catalytic mechanism and drug design.

2019

Abstract The metabolic product of caspase-1, IL-1β, is an important mediator in inflammation and pyroptosis cell death process. Alzheimer's disease, septic shock and rheumatoid arthritis are IL-1β mediated diseases, making the caspase-1 an interesting target of pharmacological value. Many inhibitors have been developed until now, most of them are peptidomimetic with improved potency. In the present study, all-atom molecular dynamics simulations and the MM/GBSA method were employed to reproduce and interpret the results obtained by in vitro experiments for a series of inhibitors. The analysis shows that the tautomeric state of the catalytic His237 impact significantly the performance of the …

DrugModels MolecularPeptidomimeticmedia_common.quotation_subjectCaspase 1InflammationLigands01 natural sciences03 medical and health sciencesStructure-Activity RelationshipViral ProteinsMediatorDrug DiscoverymedicinePotencyHumansSerpins030304 developmental biologymedia_commonPharmacology0303 health sciencesDose-Response Relationship DrugMolecular Structure010405 organic chemistryChemistryMechanism (biology)Organic ChemistryCaspase 1PyroptosisGeneral Medicine0104 chemical sciencesBiochemistryDrug DesignBiocatalysisThermodynamicsmedicine.symptomEuropean journal of medicinal chemistry
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X-ray crystallography-promoted drug design of carbonic anhydrase inhibitors.

2015

1-N-Alkylated-6-sulfamoyl saccharin derivatives were prepared and assayed as carbonic anhydrase inhibitors (CAIs). During X-ray crystallographic experiments an unexpected hydrolysis of the isothiazole ring was evidenced which allowed us to prepare highly potent enzyme inhibitors with selectivity for some isoforms with medical applications.

DrugModels MolecularStereochemistryProtein Conformationmedia_common.quotation_subjectCrystallography X-RayCatalysisHydrolysischemistry.chemical_compoundCarbonic anhydraseMaterials ChemistryHumansCarbonic Anhydrase Inhibitorsmedia_commonCarbonic Anhydraseschemistry.chemical_classificationIsothiazolebiologyMetals and AlloysGeneral ChemistryLyaseSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIsoenzymesEnzymechemistryDrug DesignX-ray crystallographyCeramics and Compositesbiology.proteinSelectivityChemical communications (Cambridge, England)
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Selected cytotoxic gold compounds cause significant inhibition of 20S proteasome catalytic activities

2014

Abstract Six structurally diverse cytotoxic gold compounds are reported to cause profound and differential inhibition of the three main catalytic activities of purified 20S proteasome whilst auranofin , an established gold(I) drug in clinical use, is nearly ineffective. In particular, the gold(I) complex [( pbiH ) Au ( PPh 3 )] PF 6 , turns out to be the most potent inhibitor of all three enzyme activities with sub-micromolar IC 50 values. The present results further support the view that proteasome inhibition may play a major – yet not exclusive – role in the cytotoxic actions of gold based anticancer agents.

DrugProteasome Endopeptidase ComplexAuranofinmedia_common.quotation_subjectAntineoplastic AgentsPharmacologyBiochemistry20s proteasomeProteasome Gold compounds Anticancer drugs Enzyme inhibitionCatalysisInorganic ChemistryInhibitory Concentration 50Structure-Activity RelationshipGold CompoundsCoordination ComplexesAuranofinmedicineHumansCytotoxic T cellmedia_commonchemistry.chemical_classificationCytotoxinsChemistryEnzymeProteasomeBiochemistryBiocatalysisOrganogold CompoundsProteasome Inhibitorsmedicine.drug
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