Search results for "Alkynes"

showing 10 items of 74 documents

A Theoretical Study of the Relationship between the Electrophilicity ω Index and Hammett Constant σp in [3+2] Cycloaddition Reactions of Aryl Azide/A…

2016

The relationship between the electrophilicity ω index and the Hammett constant σp has been studied for the [2+3] cycloaddition reactions of a series of para-substituted phenyl azides towards para-substituted phenyl alkynes. The electrophilicity ω index—a reactivity density functional theory (DFT) descriptor evaluated at the ground state of the molecules—shows a good linear relationship with the Hammett substituent constants σp. The theoretical scale of reactivity correctly explains the electrophilic activation/deactivation effects promoted by electron-withdrawing and electron-releasing substituents in both azide and alkyne components.

AzidesSubstituentPharmaceutical ScienceAlkynearylazides010402 general chemistryPhotochemistry01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-441electrophilicity indexchemistry.chemical_compound[2+3] cycloaddition reactionslcsh:Organic chemistryComputational chemistryDrug DiscoveryReactivity (chemistry)Physical and Theoretical Chemistrychemistry.chemical_classificationsubstituent effects010405 organic chemistryArylOrganic Chemistry[2+3] cycloaddition reactions; arylazides; arylalkynes; substituent effects; electrophilicity index; Hammett constantsCycloaddition0104 chemical sciencesModels ChemicalchemistryChemistry (miscellaneous)AlkynesElectrophilearylalkynesHammett constantsMolecular MedicineDensity functional theoryAzideMolecules; Volume 21; Issue 11; Pages: 1434
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Inhibition of liver trans-sulphuration pathway by propargylglycine mimics gene expression changes found in the mammary gland of weaned lactating rats…

2003

In the lactatingmammary gland, weaning produces mitochondrial cytochrome c release and nuclear DNA fragmentation, as determined by gel electrophoresis. This is followed by a significant decrease in lactation. Weaning for 2 h produces an early induction of the tumour suppressor/transcription factor p53, whereas the oncoprotein c-Jun and c-Jun N-terminal kinase are elevated after 24 h of weaning when compared with controls. The expression of p21cip1 and p27kip1, cyclin-dependent kinase inhibitors, was significantly higher in weaned rats when compared with control lactating rats. All the changes mentioned above also happen in the lactatingmammary gland when propargylglycine, an inhibitor of th…

BiochemistryAcetylcysteinechemistry.chemical_compoundLactationGene expressionGamma-glutamyltransferaseRegulation of gene expression:CIENCIAS DE LA VIDA::Bioquímica [UNESCO]biologyReverse Transcriptase Polymerase Chain ReactionCystathionine gamma-lyaseapoptosisgamma-Glutamyltransferaseglutathione (GSH)Glutathioneγ-cystathionasemedicine.anatomical_structureLiverAlkynesFemaleResearch Articlemedicine.drugmedicine.medical_specialtyGlycinel-cysteinelactationWeaningMammary Glands AnimalInternal medicinemedicineAnimalsLactationButhionine sulfoximineRats WistarButhionine SulfoximineMolecular BiologyDNA PrimersBase SequenceCystathionine gamma-LyaseUNESCO::CIENCIAS DE LA VIDA::BioquímicaCell BiologyGlutathioneAcetylcysteineRatsEndocrinologyGene Expression Regulationchemistrybiology.proteinSulfurBiochemical Journal
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DMAP-BODIPY Alkynes: A Convenient Tool for Labeling Biomolecules for Bimodal PET-Optical Imaging

2014

Several new boron dipyrromethene/N,N-dimethylaminopyridine (BODIPY-DMAP) assemblies were synthesized as precursors for bimodal imaging probes (optical imaging, OI/positron emission tomography, PET). The photophysical properties of the new compounds were also studied. The first proof-of-concept was obtained with the preparation of several new BODIPY-labeled bombesins and evaluation of the affinity for bombesin receptors by using a competition binding assay. Fluorination reactions were investigated on DMAP-BODIPY precursors as well as on DMAP-BODIPY-labeled bombesins. Chemical modifications on the BODIPY core were also performed to obtain luminescent dyes emitting in the therapeutic window (6…

Boron CompoundsHalogenationPyridineschemistry.chemical_elementCatalysischemistry.chemical_compoundmedicineOrganic chemistrychemistry.chemical_classificationLuminescent Agentsmedicine.diagnostic_testLigand binding assayBiomoleculeOptical ImagingOrganic ChemistryGeneral ChemistryCombinatorial chemistrychemistryPositron emission tomographyAlkynesPositron-Emission TomographyClick chemistryFluorineBombesinClick ChemistryBODIPYLuminescencePreclinical imagingChemistry - A European Journal
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Pauson-Khand reaction of internal dissymmetric trifluoromethyl alkynes. Influence of the alkene on the regioselectivity.

2014

Abstract: The scope of the Pauson-Khand reaction (PKR) of internal trifluoromethyl alkynes, previously described with norbornadiene, is expanded to norbornene and ethylene. A thorough structural analysis of the resulting PK adducts has been carried out to unveil that α-trifluoromethylcyclopentenones are preferred in all cases, independently of the electronic properties of the alkyne. The regioselectivity observed with norbornadiene and ethylene is higher than in the case of norbornene.

Ciclització (Química)EthyleneHydrocarbons FluorinatedStereochemistryNorbornadieneQuímica organometàl·licaPharmaceutical ScienceAlkynetrifluoromethylalkynesCrystallography X-RayArticlecyclopentenonesAnalytical ChemistryRing formation (Chemistry)cycloadditionslcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryPhysical and Theoretical ChemistryNorbornenechemistry.chemical_classificationPauson-Khand reactionTrifluoromethylMolecular StructureAlkenePauson–Khand reactionOrganic ChemistryRegioselectivityStereoisomerismCobaltEthylenesNorbornaneschemistryOrganometallic chemistryChemistry (miscellaneous)AlkynesregioselectivityMolecular MedicineMolecules (Basel, Switzerland)
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Efavirenz: What is known about the cellular mechanisms responsible for its adverse effects

2017

The HIV infection remains an important health problem worldwide. However, due to the efficacy of combined antiretroviral therapy (cART), it has ceased to be a mortal condition, becoming a chronic disease instead. Efavirenz, the most prescribed non-nucleoside analogue reverse transcriptase inhibitor (NNRTI), has been a key component of cART since its commercialization in 1998. Though still a drug of choice in many countries, its primacy has been challenged by the arrival of newer antiretroviral agents with better toxicity profiles and treatment adherence. The major side effects related to EFV have been widely described in clinical studies, however the mechanisms that participate in their pat…

Cyclopropanes0301 basic medicineDrugCartEfavirenzAnti-HIV Agentsmedia_common.quotation_subjectHIV InfectionsPharmacologymedicine.disease_cause03 medical and health scienceschemistry.chemical_compoundIn vivomedicineAnimalsHumansAdverse effectmedia_commonPharmacologyReverse-transcriptase inhibitorbusiness.industryAutophagyBenzoxazines030104 developmental biologychemistryAlkynesbusinessOxidative stressmedicine.drugEuropean Journal of Pharmacology
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Neuronal Bioenergetics and Acute Mitochondrial Dysfunction: A Clue to Understanding the Central Nervous System Side Effects of Efavirenz

2014

Background. Neurological pathogenesis is associated with mitochondrial dysfunction and differences in neuronal/glial handling of oxygen and glucose. The main side effects attributed to efavirenz involve the CNS, but the underlying mechanisms are unclear. Methods. Human cell lines and rat primary cultures of neurons and astrocytes were treated with clinically relevant efavirenz concentration. Results. Efavirenz alters mitochondrial respiration, enhances reactive oxygen species generation, undermines mitochondrial membrane potential, and reduces adenosine triphosphate (ATP) levels in a concentration-dependent fashion in both neurons and glial cells. However, it activates adenosine monophospha…

CyclopropanesCell SurvivalCell RespirationPharmacologyMitochondrionBiologymedicine.disease_causechemistry.chemical_compoundOxygen ConsumptionHIV-associated neurocognitive disordersSuperoxidesnitric oxideCell Line TumorneurotoxicitymedicineAnimalsHumansImmunology and AllergyGlycolysisRats WistarMembrane Potential MitochondrialNeuronsMembrane potentialDose-Response Relationship DrugNeurotoxicityHIVefavirenzmedicine.diseasecentral nervous systemAdenosineBenzoxazinesMitochondriaRatsmitochondriaInfectious Diseasesmedicine.anatomical_structurechemistrynervous systemAlkynesAstrocytesReverse Transcriptase InhibitorsNeurogliaEnergy MetabolismNeurogliaAdenosine triphosphateOxidative stressmedicine.drug
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Profile of stress and toxicity gene expression in human hepatic cells treated with Efavirenz

2012

Hepatic toxicity and metabolic disorders are major adverse effects elicited during the pharmacological treatment of the human immunodeficiency virus (HIV) infection. Efavirenz (EFV), the most widely used non-nucleoside reverse transcriptase inhibitor (NNRTI), has been associated with these events, with recent studies implicating it in stress responses involving mitochondrial dysfunction and oxidative stress in human hepatic cells. To expand these findings, we analyzed the influence of EFV on the expression profile of selected stress and toxicity genes in these cells. Significant up-regulation was observed with Cytochrome P450, family 1, subfamily A, polypeptide 1 (CYP1A1), which indicated m…

CyclopropanesChemokineEfavirenzAnti-HIV AgentsPharmacologyMitochondrionmedicine.disease_causeCell Linechemistry.chemical_compoundStress PhysiologicalVirologyGene expressionmedicineHumansCXCL10PharmacologybiologyGene Expression ProfilingMolecular biologyBenzoxazinesMitochondriaOxidative StresschemistryAlkynesToxicityHepatocytesbiology.proteinHepatic stellate cellOxidative stressAntiviral Research
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[Pharmacogenomics of antiretrovirals].

2008

HIV infection is a serious but treatable disease, yet current treatment is limited by development of resistance and high rates of adverse drug reactions. Antiretroviral therapy is especially suitable for pharmacogenomic investigation as both drug exposure and treatment response can be reliably measured. Increasing knowledge about genes implicated in pharmacokinetics, mode of action, efficacy, and toxicity of drugs has already provided relevant results for clinical practice, for example: The strong association of the abacavir hypersensitivity reaction with HLA-B*5701 permits testing patients for the allele, and if present avoiding the drug and therefore preventing the reaction. Persons with …

CyclopropanesDrugEfavirenzPyridinesmedia_common.quotation_subjectAtazanavir SulfateDiseaseBioinformaticsDrug HypersensitivityPatents as Topicchemistry.chemical_compoundPharmacokineticsCentral Nervous System DiseasesHLA AntigensAbacavirDrug Resistance ViralDrug DiscoveryMedicineHumansGenetic Predisposition to DiseasePharmacology (medical)Genetic TestingNevirapineGlucuronosyltransferaseDyslipidemiasHyperbilirubinemiamedia_commonRitonavirbusiness.industryPatient SelectionArea under the curveOxidoreductases N-DemethylatingGeneral MedicineDideoxynucleosidesBenzoxazinesHypersensitivity reactionCytochrome P-450 CYP2B6Infectious DiseaseschemistryAnti-Retroviral AgentsPharmacogeneticsAlkynesPharmacogenomicsAryl Hydrocarbon HydroxylasesbusinessOligopeptidesmedicine.drugMedicina clinica
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Autophagy as a rescue mechanism in efavirenz-induced mitochondrial dysfunction: a lesson from hepatic cells.

2011

Efavirenz (EFV) is the most widely used non-nucleoside reverse transcriptase inhibitor applied in highly active antiretroviral therapy (HAART), the combined pharmacological treatment of the human immunodeficiency virus infection. Its use has been associated with the development of several adverse events including hepatotoxicity. The molecular pathogenesis of this effect is poorly understood but recent reports have highlighted features of mitochondrial dysfunction in hepatic cells exposed to clinically relevant concentrations of EFV. In this study, we investigated the activation of autophagy and, in particular, mitophagy, in human hepatic cells exposed to EFV. We detected the presence of alt…

CyclopropanesEfavirenzCell SurvivalMitochondrionBiologyModels Biologicalchemistry.chemical_compoundMitophagymedicineAutophagyHumansMolecular BiologyReverse-transcriptase inhibitorAutophagyCell BiologyBenzoxazinesMitochondriachemistryApoptosisAlkynesImmunologyCancer researchHepatic stellate cellHepatocytesReverse Transcriptase InhibitorsHomeostasismedicine.drugAutophagy
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Compromising mitochondrial function with the antiretroviral drug efavirenz induces cell survival-promoting autophagy

2011

Hepatotoxicity is a very common side effect associated with the pharmacological treatment of human immunodeficiency virus (HIV) infection and its pathogenesis is poorly understood. Efavirenz (EFV) is the most widely used nonnucleoside reverse transcriptase inhibitor administered for the control of HIV and some of its toxic effects in hepatic cells have been recently shown to display features of mitochondrial dysfunction. Here we studied the activation of autophagy and, in particular, mitophagy, the main mitochondrial turnover mechanism, in human hepatic cells treated with clinically relevant concentrations of this drug. EFV-treated cells had altered mitochondria, characterized by a relative…

CyclopropanesEfavirenzHepatologyAnti-HIV AgentsCell SurvivalMitochondrial TurnoverAutophagyVacuoleMitochondrionBiologyBenzoxazinesMitochondriaCell biologychemistry.chemical_compoundchemistryApoptosisAlkynesMitophagyAutophagyCancer researchHepatic stellate cellHumansChemical and Drug Induced Liver InjuryHeLa CellsHepatology
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