Search results for "triazines"

showing 10 items of 61 documents

1,2,4-Amino-triazine derivatives as pyruvate dehydrogenase kinase inhibitors: Synthesis and pharmacological evaluation

2023

: Among the different hallmarks of cancer, deregulation of cellular metabolism turned out to be an essential mechanism in promoting cancer resistance and progression. The pyruvate dehydrogenase kinases (PDKs) are well known as key regulators in cells metabolic process and their activity was found to be overexpressed in different metabolic alerted types of cancer, including the high aggressive pancreatic ductal adenocarcinoma (PDAC). To date few PDK inhibitors have been reported, and the different molecules developed are characterized by structural chemical diversity. In an attempt to find novel classes of potential PDK inhibitors, the molecular hybridization approach, which combine two or m…

PharmacologyPDK inhibitors4-Amino-triazines1Organic ChemistryDrug Discovery2124-Amino-triazinesGeneral MedicineKRAS-mutated pancreatic cancerLigand-based homology modelingSettore CHIM/08 - Chimica Farmaceutica124-Amino-triazines; KRAS-mutated pancreatic cancer; Ligand-based homology modeling; PDK inhibitorsEuropean Journal of Medicinal Chemistry
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Combination of supported liquid membrane and solid-phase extraction for sample pretreatment of triazine herbicides in juice prior to capillary electr…

2002

A possibility of a combination of supported liquid membrane (SLM) and solid-phase extraction (SPE) for the determination of atrazine at microgram level in different type of fruit juices is presented. In comparison to SPE extraction from juice samples, the application of SLM-SPE enrichment provides much cleaner extracts and the possibility of lowering the limit of detection as low as 30 microg/l. However, it was also shown that by appropriate manipulation of SLM extraction conditions mainly flow-rate of donor phase and volume ratio between donor and acceptor phase, the level of detection can be further decreased to 10 microg/l. The results suggest that the application of SLM extraction prior…

Biochemistryfruit juiceAnalytical ChemistryBeveragessupporter liquid membrane extractionchemistry.chemical_compoundCapillary electrophoresistriazinesSample preparationsolid-phase extractionSolid phase extractionAtrazineTriazineDetection limitChromatographyChemistryHerbicidesOrganic ChemistryElectrophoresis CapillaryMembranes ArtificialGeneral MedicinepesticidesMembraneCalibrationQuantitative analysis (chemistry)atrazineJournal of Chromatography A
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A3 adenosine receptor: Homology modeling and 3D-QSAR studies

2012

Adenosine receptors (AR) belong to the superfamily of G-protein-coupled receptors (GPCRs). They are divided into four subtypes (A1, A2A, A2B, and A3) [1], and can be distinguished on the basis of their distinct molecular structures, distinct tissues distribution, and selectivity for adenosine analogs [2,3]. The hA3R, the most recently identified adenosine receptor, is involved in a variety of intracellular signaling pathways and physiological functions [4]. Expression of A3R was reported to be elevated in cancerous tissues [5], and A3 antagonists have been proposed for therapeutic treatments of cancer. The recent literature availability of crystal structure of hA2A adenosine receptor (PDB c…

Models MolecularQuantitative structure–activity relationshipReceptor Adenosine A2AAdenosine A3 Receptor AntagonistsQuantitative Structure-Activity RelationshipComputational biologyBiologyPharmacologyDrug DiscoveryMolecular dynamics simulationMaterials ChemistrymedicineHumansAmino Acid SequenceHomology modelingPhysical and Theoretical ChemistryReceptorA3 INHIBITORS HOMOLOGY MODELING 3D-QSARSpectroscopyG protein-coupled receptorA3 ReceptorBinding SitesTriazinesReceptor Adenosine A3Intracellular Signaling Peptides and ProteinsTriazolesA3 ADENOSINE RECEPTORComputer Graphics and Computer-Aided DesignAdenosine receptorAdenosineSettore CHIM/08 - Chimica FarmaceuticaPharmacophoresHomology modellingPharmacophoreProtein Bindingmedicine.drug
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In vitro evolution of an atrazine-degrading population under cyanuric acid selection pressure: Evidence for the selective loss of a 47kb region on th…

2011

International audience; The adaptation of microorganisms to pesticide biodegradation relies on the recruitment of catabolic genes by horizontal gene transfer and homologous recombination mediated by insertion sequences (IS). This environment-friendly function is maintained in the degrading population but it has a cost which could diminish its fitness. The loss of genes in the course of evolution being a major mechanism of ecological specialization, we mimicked evolution in vitro by sub-culturing the atrazine-degrading Pseudomonas sp. ADP in a liquid medium containing cyanuric acid as the sole source of nitrogen. After 120 generations, a new population evolved, which replaced the original on…

genetics and hereditypseudomonas sp adp[SDV]Life Sciences [q-bio]PopulationAdaptation BiologicaladaptationBiology03 medical and health sciencesPlasmidMolecular evolutionPseudomonasGene duplicationGeneticsDirect repeatexperimental evolutionSelection GeneticInsertion sequenceHomologous RecombinationeducationGeneComputingMilieux_MISCELLANEOUS030304 developmental biology2. Zero hungerGenetics0303 health scienceseducation.field_of_studygenetic plasticitymolecular evolutionHerbicidesTriazines030306 microbiologycyanuric acidGeneral MedicineBiological EvolutionGenes Bacterial[SDE]Environmental SciencesAtrazineHomologous recombinationGene Deletion
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Transfer of hexazinone and glyphosate through undisturbed soil columns in soils under Christmas tree cultivation.

2004

Abstract Field studies monitoring pesticide pollution in the Morvan region (France) have revealed surface water contamination by some herbicides. The purpose of this study was to investigate in greater detail the transport of two herbicides, used in Christmas tree production in the Morvan, under controlled laboratory conditions. Thus, the leaching of hexazinone (3-cyclohexyl-6-dimethyl-amino-1-methyl-1,3,5-triazine-2,4 (1H,3H) dione) and glyphosate ( N -(phosphono-methyl-glycine)) through structured soil columns was studied using one loamy sand and two sandy loams from sites currently under Christmas tree cultivation in the Morvan. The three soils were cultivated sandy brunisol [Sound refer…

Environmental EngineeringHealth Toxicology and MutagenesisRainGlycineSoil scienceTreeschemistry.chemical_compoundSoilWorld Reference Base for Soil ResourcesEnvironmental ChemistryLeaching (agriculture)Organic ChemicalsCambisolHerbicidesTriazinesPublic Health Environmental and Occupational HealthGeneral MedicineGeneral ChemistrySoil carbonPollutionHexazinoneSoil contaminationCarbonchemistryAgronomyLoamSoil waterEnvironmental sciencePorosityWater Pollutants ChemicalEnvironmental MonitoringChemosphere
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A sustainable on-line CapLC method for quantifying antifouling agents like irgarol-1051 and diuron in water samples: Estimation of the carbon footpri…

2016

In this work, in-tube solid phase microextraction (in-tube SPME) coupled to capillary LC (CapLC) with diode array detection has been reported, for on-line extraction and enrichment of booster biocides (irgarol-1051 and diuron) included in Water Frame Directive 2013/39/UE (WFD). The analytical performance has been successfully demonstrated. Furthermore, in the present work, the environmental friendliness of the procedure has been quantified by means of the implementation of the carbon footprint calculation of the analytical procedure and the comparison with other methodologies previously reported. Under the optimum conditions, the method presents good linearity over the range assayed, 0.05-1…

BiocideEnvironmental Engineeringchemistry.chemical_element010501 environmental sciencesSolid-phase microextractionOnline Systems01 natural sciencesBiofoulingLimit of DetectionEnvironmental ChemistryWaste Management and DisposalSolid Phase MicroextractionCarbon Footprint0105 earth and related environmental sciencesDetection limitChromatographyFoulingHerbicidesTriazinesChemistry010401 analytical chemistryExtraction (chemistry)Pollution0104 chemical sciencesDiuronCarbon footprintCarbonWater Pollutants ChemicalChromatography LiquidDisinfectantsEnvironmental MonitoringScience of The Total Environment
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Synthesis and in vitro antileukemic activity of new 4-triazenopyrazole derivatives

2003

Several new 4-(3,3-dimethyltriazeno)-5-benzamidopyrazole derivatives were prepared by reacting 4-diazo-5-benzamidopyrazole derivatives with dimethylamine. The compounds were tested at 10 microM for their vitro antileukemic activity against K562 (Human chronic myelogenous leukemia) and Raji (human Burkitt limphoma ) cell lines. Dacarbazine and methotrexate were used for comparative purpose. The 3-methyl-4-(3,3-dimethyltriazeno)-5-(substituted benzamido)pyrazoles, bearing the pyrazole nucleus free at 1 position, resulted more active than the 1-(substituted phenyl)-3-methyl-4-(3,3-dimethyltriazeno)-5-benzamidopyrazoles. Dacarbazine at 10 microM showed no activity in the above tests. The observ…

StereochemistryDacarbazinePharmaceutical ScienceAntineoplastic AgentsPyrazoleSettore BIO/19 - Microbiologia GeneraleInhibitory Concentration 50Structure-Activity Relationshipchemistry.chemical_compoundCytochrome P-450 Enzyme SystemCell Line TumorLeukemia Myelogenous Chronic BCR-ABL PositiveDrug DiscoverymedicineHumansDimethylamine4-Triazenopyrazoles Antiproliferative activity In vitro antileukemic acitivityDemethylationTriazinesGeneral MedicineBurkitt LymphomaSettore CHIM/08 - Chimica FarmaceuticaIn vitroRaji cellchemistryMechanism of actionPyrazolesGrowth inhibitionmedicine.symptommedicine.drugIl Farmaco
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An overview on the recent developments of 1,2,4-triazine derivatives as anticancer compounds

2017

The synthesis, the antitumor activity, the SAR and, whenever described, the possible mode of action of 1,2,4-triazine derivatives, their N-oxides, N,. N'-dioxides as well as the benzo- and hetero-fused systems are reported. Herein are treated derivatives disclosed to literature from the beginning of this century up to 2016. Among the three possible triazine isomers, 1,2,4-triazines are the most studied ones and many derivatives having remarkable antitumor activity have been reported in the literature and also patented reaching advanced phases of clinical trials.

0301 basic medicine4-benzotriazine124-triazineAntineoplastic AgentsChemistry Techniques SyntheticAntiproliferative activity01 natural sciences03 medical and health scienceschemistry.chemical_compoundNeoplasmsDrug DiscoveryOrganic chemistryAnimalsHumans124-triazineMode of action124-benzotriazineTriazineAntitumor activityPharmacology010405 organic chemistryChemistryTriazinesNitrogen heterocyclesDrug Discovery3003 Pharmaceutical Science1; 2; 4-benzotriazine; 1; 2; 4-triazine; Antiproliferative activity; Antitumor activity; Nitrogen heterocycles; Pharmacology; Drug Discovery3003 Pharmaceutical Science; Organic ChemistryOrganic ChemistryGeneral MedicineCombinatorial chemistrySettore CHIM/08 - Chimica Farmaceutica0104 chemical sciences030104 developmental biologyNitrogen heterocycleDrug Screening Assays AntitumorAntitumor activity
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An immunoassay for terbutryn using direct hapten linkage to a glutaraldehyde network on the polystyrene surface of standard microtiter plates.

2001

2-Aminobutylamino-4-ethylamino-6-isopropylamino-1,3,5-triazine (ABA-atrazine) has been synthesized and used as a coating hapten in an immunoassay with a monoclonal antibody against terbutryn. Coating was achieved by covalently linking ABA-atrazine to a glutaraldehyde polymer network directly bound to the polystyrene surface of a standard 96-well microtiter plate. The assay was carefully optimized. In particular, the coating hapten concentration had a strong effect on the ELISA sensitivity. By including a pre-incubation step a low test midpoint (IC50-value) of 0.130 microg L(-1) was achieved. As far as we are aware this is the most sensitive ELISA for terbutryn yet reported. The coating-hapt…

PolymersSurface PropertiesEnzyme-Linked Immunosorbent Assayengineering.materialBiochemistrySensitivity and Specificitychemistry.chemical_compoundMicrotiter plateCoatingmedicineChromatographymedicine.diagnostic_testHerbicidesTriazinesNetwork onAntibodies MonoclonalchemistryCovalent bondGlutaralImmunoassayCalibrationengineeringPolystyrenesGlutaraldehydePolystyreneHaptenHaptensFresenius' journal of analytical chemistry
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3,5-diphenyl-1,2,4-triazin-6(1H)-one: synthesis, and X-ray and DFT-calculated structures.

2012

The title compound, C15H11N3O, (I), was obtained by the air oxidation of 3,5-diphenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one. In the crystal structure, (I) forms centrosymmetric hydrogen-bonded dimers through pairs of N—H...N hydrogen bonds. The molecular structure of (I) deviates somewhat from planarity in the crystalline state, whereas a density functional theory (DFT) study predicts a completely planar conformation (Cspoint-group symmetry) for the isolated molecule. The solid-state conformation of (I) is stabilized by intramolecular hydrogen bonds,viz.one C—H...O interaction, which forms a six-membered ring, and three C—H...N interactions that each form five-membered rings. To estimate the …

Models MolecularMolecular StructureHydrogen bondChemistryTriazinesAromaticityElectronsHydrogen BondingGeneral MedicineCrystal structureRing (chemistry)Crystallography X-RayGeneral Biochemistry Genetics and Molecular BiologyPlanarity testingCrystallographyIntramolecular forceMoleculeDensity functional theoryActa crystallographica. Section C, Crystal structure communications
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