Search results for "INFORMATICS"

showing 10 items of 2542 documents

Treatment options for managing atherogenic dyslipidemia and fatty liver disease

2014

Non-alcoholic fatty liver disease (NAFLD) is the most common cause of chronic liver disease in Western countries with up to 30% of the population affected. Since NAFLD is associated with an increased risk of cardiovascular (CV) disease, these patients should be stratified for CV risk factors, including atherogenic dyslipidemia, and managed accordingly. Lifestyle modifications represent an effective treatment for NAFLD, since most patients are overweight or obese. Also, promising, but not conclusive, results are available for current pharmacologic treatment. Drugs potentially effective against NAFLD include insulin sensitisers as well as fibrates and omega-3 polyunsaturated fatty acids, whil…

cardiovascular riskmedicine.medical_specialtymedicine.medical_treatmentPopulationcardiovascular risk dyslipidemia non-alcoholic fatty liver disease therapyDiseaseOverweightdyslipidemia fatty liver disease treatmentChronic liver diseaseBioinformaticsInternal medicineFatty Acids Omega-3medicineHumansPharmacology (medical)educationDyslipidemiaschemistry.chemical_classificationPharmacologyeducation.field_of_studytherapybusiness.industryInsulinMedicine (all)Fatty liverdyslipidemiaFibric Acidsnutritional and metabolic diseasesnon-alcoholic fatty liver diseaseGeneral Medicinemedicine.diseaseAtherosclerosisEndocrinologychemistrymedicine.symptomHydroxymethylglutaryl-CoA Reductase InhibitorsbusinessDyslipidemiaPolyunsaturated fatty acid
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Engineering faster transglycosidases and their acceptor specificity

2019

Transglycosidases are enzymes that have the potential to catalyze the synthesis of a wide range of high-value compounds starting from biomass-derived feedstocks. Improving their activity and broadening the substrate range are important goals to enable the widespread application of this family of biocatalysts. In this work, we engineered 20 mutants of the rice transglycosidase Os9BGlu31 and evaluated their catalysis in 462 reactions over 18 different substrates. This allowed us to identify mutants that expanded their substrate range and showed high activity, including W243L and W243N. We also developed double mutants that show very high activity on certain substrates and exceptional specific…

chemistry.chemical_classification010405 organic chemistryExternal validationSubstrate (chemistry)010402 general chemistry01 natural sciencesPollutionAcceptorCombinatorial chemistry0104 chemical sciencesCatalysisEnzymechemistryCheminformaticsEnvironmental ChemistryHigh activityGreen Chemistry
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Food carotenoids and cancer prevention: an overview of current research

1997

Carotenoids are plant pigments that are present in the human diet as microcomponents of fruit and vegetables. Since 1980, a consistent bulk of the results from both epidemiologic and experimental studies has strongly suggested that β-carotene, a widespread food carotenoid with provitamin A activity, could prevent the onset of cancers, especially lung cancer. Unfortunately, subsequent large-scale intervention studies failed, with one exception, to demonstrate any chemopreventive potency for β-carotene supplementation in humans, revealing a lack of knowledge of the mechanisms involved. In addition to their antioxidant properties, which have long been thought to be the clue to their biological…

chemistry.chemical_classification0303 health sciencesCancer preventionSTRUCTURE030309 nutrition & dietetics010401 analytical chemistryfood and beverages[SDV.IDA] Life Sciences [q-bio]/Food engineeringBiologyBioinformatics01 natural sciencesIntervention studiesCANCER0104 chemical sciences3. Good health03 medical and health scienceschemistryBiochemistryProvitamin a[SDV.IDA]Life Sciences [q-bio]/Food engineeringRATLack of knowledgeCarotenoidFood ScienceBiotechnology
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Use of Specific Chemical Reagents for Detection of Modified Nucleotides in RNA

2011

International audience; Naturally occurring cellular RNAs contain an impressive number of chemically distinct modified residues which appear posttranscriptionally, as a result of specific action of the corresponding RNA modification enzymes. Over 100 different chemical modifications have been identified and characterized up to now. Identification of the chemical nature and exact position of these modifications is typically based on 2D-TLC analysis of nucleotide digests, on HPLC coupled with mass spectrometry, or on the use of primer extension by reverse transcriptase. However, many modified nucleotides are silent in reverse transcription, since the presence of additional chemical groups fre…

chemistry.chemical_classification0303 health scienceslcsh:QH426-470030302 biochemistry & molecular biologyRNA[SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry Molecular Biology/Molecular biologyReview ArticleBiologyMass spectrometryBioinformaticsBiochemistryReverse transcriptasePrimer extensionlcsh:Biochemistry03 medical and health scienceslcsh:GeneticsEnzymechemistryBiochemistryReagentReactivity (chemistry)Nucleotidelcsh:QD415-436Molecular Biology030304 developmental biologyJournal of Nucleic Acids
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Straightforward synthesis of bioconjugatable azo dyes. Part 2: Black Hole Quencher-2 (BHQ-2) and BlackBerry Quencher 650 (BBQ-650) scaffolds

2014

Abstract A further extension of the efficient synthetic methodology described in Part 1, to the aromatic bis-diazo scaffold of Black Hole Quencher-2 dye is presented. Bioconjugatable derivatives bearing either azido, terminal alkyne, or maleimide reactive group were easily obtained as well as the free-phenol form of BlackBerry® Quencher 650 (BBQ-650®) initially developed by Berry & Associates, Inc. Company. The efficient conjugation ability of azido- and maleimide-quenchers was demonstrated through the facile preparation of the first water-soluble and formylated BHQ-2 dyes and a FRET-based probe suitable for the in vitro/in cellulo detection of a cancer-associated protease namely urokinase-…

chemistry.chemical_classificationBioconjugation[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic ChemistryAlkyne[CHIM.CATA]Chemical Sciences/Catalysis[CHIM.THER]Chemical Sciences/Medicinal ChemistryPhotochemistryBiochemistryCombinatorial chemistry[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistry.chemical_compoundFörster resonance energy transferchemistry[CHIM.ANAL]Chemical Sciences/Analytical chemistryDrug DiscoveryMaleimideComputingMilieux_MISCELLANEOUS[CHIM.CHEM]Chemical Sciences/CheminformaticsTetrahedron Letters
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Therapeutic use of omega-3 fatty acids in bipolar disorder

2011

Bipolar disorder (BD) is a severe, chronic affective disorder, associated with significant disability, morbidity and premature mortality. Omega-3 polyunsaturated fatty acids (PUFAs) play several important roles in brain development and functioning. Evidence from animal models of dietary omega-3 (n-3) PUFA deficiency suggest that these fatty acids are relevant to promote brain development and to regulate behavioral and neurochemical aspects related to mood disorders, such as stress responses, depression and aggression, as well as dopaminergic content and function. Preclinical and clinical evidence suggests roles for PUFAs in BD. n-3 PUFAs seem to be an effective adjunctive treatment for unip…

chemistry.chemical_classificationBipolar Disordermedicine.drug_classBrain-Derived Neurotrophic FactorGeneral NeuroscienceDopaminergicMood stabilizerBioinformaticsmedicine.diseaseNeuroprotectionNeuroprotective AgentsNeurochemicalMood disorderschemistryFatty Acids Omega-3Adjunctive treatmentmedicineAnimalsHumansPharmacology (medical)Neurology (clinical)Bipolar disorderPsychologyClinical psychologyPolyunsaturated fatty acidExpert Review of Neurotherapeutics
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Chlorido(dimethyl sulfoxide)(pyridine-2-thiolato N-oxide-κ2S,O)platinum(II)

2008

The asymmetric unit of the title compound, [Pt(C5H4NOS)Cl(C2H6OS)], contains two independent complex molecules having similar geometries. Each PtII atom is four-coordinated in a distorted square-planar geometry by S and O atoms of one pyridine N-oxide ligand, the S atom of one dimethyl sulfoxide molecule and one terminal Cl− ion. The molecules are linked into a three-dimensional framework by C—H...O and C—H...Cl hydrogen bonds.

chemistry.chemical_classificationChemistryHydrogen bondLigandDimethyl sulfoxideOxidechemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsBioinformaticsMedicinal chemistryIonlcsh:Chemistrychemistry.chemical_compoundlcsh:QD1-999PyridineThiolGeneral Materials SciencePlatinumActa Crystallographica Section E
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N-[3-(5-Oxo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-ylamino)phenyl]furan-3-carboxamide

2010

In the title compound, C26H20N2O3, the two aromatic rings of the tricyclic unit are oriented at a dihedral angle of 54.53 (9)°. The crystal structure displays intermolecular N—H...O hydrogen bonding.

chemistry.chemical_classificationChemistrymedicine.drug_classHydrogen bondCarboxamideAromaticityGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsMedicinal chemistryOrganic Paperslcsh:Chemistrychemistry.chemical_compoundlcsh:QD1-999FuranmedicineGeneral Materials ScienceTricyclicActa Crystallographica Section E
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N-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamide

2008

The title compound, C19H13Cl2NO3S, is an N-arylsulfonyl derivative of 2-amino-5-chlorobenzophenone. The compound is biologically active and shows potential to be utilized as an inhibitor of CCR2 and CCR9 receptor functions. In the crystal structure, there is an intramolecular N—H...O hydrogen bond between the amide and carbonyl groups. The benzoyl and 4-chlorophenyl groups form intramolecular and intermolecular face-to-face contacts, with a dihedral angle of 10.6 (1)° between their mean planes in both cases, and centroid–centroid separations of 4.00 (1) and 4.25 (1) Å for the intra- and intermolecular interactions, respectively.

chemistry.chemical_classificationCrystallographyHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsOrganic PapersMedicinal chemistrySulfonamidechemistry.chemical_compoundchemistryQD901-999AmideBenzophenoneGeneral Materials ScienceBenzeneDerivative (chemistry)Acta Crystallographica Section E Structure Reports Online
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1-{2-[4-(4-Nitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane iodide

2012

The title compound, C18H28N5O2+·I−, was observed as a main product in an intended 1:1 reaction between 4-iodonitrobenzene and 1,4-diazabicyclo[2.2.2]octane (DABCO). In the reaction, DABCO undergoes a ring opening to yield a quaternary salt of DABCO and 1-ethyl-4-(4-nitrophenyl)piperazine with an iodide anion. The crystal structure determination was carried out as no crystal structure had been previously reported in the investigations describing the corresponding reaction with 4-chloronitrobenze. Indeed, the crystal structure of the title compound confirms the molecular composition proposed earlier for the analogous chloride salt. The cation conformation is similar to the …

chemistry.chemical_classificationCrystallographyIodideGeneral ChemistryDABCOCrystal structureCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersMedicinal chemistryChloridechemistry.chemical_compoundPiperazinechemistryQD901-999NitromedicineGeneral Materials Scienceta116Octanemedicine.drugActa Crystallographica Section E Structure Reports Online
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