Search results for "REDUCTASE"

showing 10 items of 798 documents

Glutamate 270 plays an essential role in K+-activation and domain closure ofThermus thermophilusisopropylmalate dehydrogenase

2014

The mutant E270A of Thermus thermophilus 3-isopropylmalate dehydrogenase exhibits largely reduced (∼1%) catalytic activity and negligible activation by K(+) compared to the wild-type enzyme. A 3-4 kcal/mol increase in the activation energy of the catalysed reaction upon this mutation could also be predicted by QM/MM calculations. In the X-ray structure of the E270A mutant a water molecule was observed to take the place of K(+). SAXS and FRET experiments revealed the essential role of E270 in stabilisation of the active domain-closed conformation of the enzyme. In addition, E270 seems to position K(+) into close proximity of the nicotinamide ring of NAD(+) and the electron-withdrawing effect…

Models MolecularStereochemistry030303 biophysicsMutantBiophysicsGlutamic AcidLarge scale facilities for research with photons neutrons and ionsSmall angle X-ray scatteringDehydrogenaseBiochemistry3-Isopropylmalate Dehydrogenase03 medical and health scienceschemistry.chemical_compoundIsopropylmalate dehydrogenaseFluorescence resonance energy transferStructural BiologyOxidoreductaseGeneticsMolecular BiologyX-ray crystallography030304 developmental biologychemistry.chemical_classificationSite-directed mutagenesis0303 health sciencesNicotinamidebiologyThermus thermophilusActivation by K+Cell BiologyThermus thermophilusbiology.organism_classificationProtein Structure TertiaryMOPSEnzyme ActivationKineticsCrystallographyEnzymechemistryMutationNAD+ kinaseFEBS Letters
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Dibutyltin(IV) complexes containing arylazobenzoate ligands: chemistry, in vitro cytotoxic effects on human tumor cell lines and mode of interaction …

2009

Dibutyltin(IV) complexes of composition Bu2Sn (LH)2, where LH is a carboxylate residue derived from 2-[(E)- (5-tert-butyl-2- hydroxyphenyl)diazenyl]benzoate (L1H) with water molecule (1), 4-[(E)-(5-tert-butyl-2-hydroxyphenyl) diazenyl]benzoate (L2H) (2) and 4-[(E)-(4-hydroxy-5- methylphenyl)diazenyl]benzoate (L3H) (3), were synthesized and characterized by spectroscopic (1H, 13C and 119Sn NMR, IR, 119Sn Mössbauer) techniques. A full characterization was accomplished from the crystal structure of complex 1. The molecular structures and geometries of the complexes (1a i.e. 1 without water molecule and 3) were fully optimized using the quantum mechanical method (PM6). Complexes 1 and 3 were fo…

Models MolecularStereochemistryMolecular ConformationCrystallography X-RayLigandsThymidylate synthaseAnti-cancer drugchemistry.chemical_compoundCell Line TumorRibonucleotide ReductasesOrganotin CompoundsMoleculeHumansPharmacology (medical)CarboxylateArylazobenzoateSpectroscopyPharmacologychemistry.chemical_classificationBinding SitesbiologyCell DeathTopoisomeraseHydrogen BondingThymidylate SynthaseIn vitroEnzymesRibonucleotide reductaseEnzymeDNA Topoisomerases Type IIOncologychemistrySettore CHIM/03 - Chimica Generale E InorganicaDocking (molecular)Docking studieDibutyltin(IV) compoundbiology.proteinQuantum TheoryDrug Screening Assays AntitumorCell lineInvestigational new drugs
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Enantiospecific semisynthesis of (+)-almuheptolide-A, a novel natural heptolide inhibitor of the mammalian mitochondrial respiratory chain.

1998

The development of novel styryl lactone derivatives as bioactive compounds and the semisynthesis of both 4,5-dialkoxylated eight-membered-ring lactones with a heptolide skeleton (almuheptolide-A (1) type) and 7-alkoxylated delta-lactones with a saturated furanopyrone skeleton (etharvensin (8) type) have been successfully achieved from the chiral unsaturated alpha-pyrone altholactone (7). This new method is a direct and one-step enantiospecific alkoxylation of altholactone (7) in concentrated acid medium, followed by formation of the eight-membered-ring zeta-lactone. The reaction mechanism operating in the synthesis of the heptolide skeleton is postulated to be a direct Michael-type addition…

Models MolecularStereochemistryRespiratory chainEtherIn Vitro TechniquesMitochondria HeartElectron Transportchemistry.chemical_compoundDrug DiscoveryAnimalsMitochondrial respiratory chain complex INADH NADPH OxidoreductasesEnzyme InhibitorsTetrahydrofuranchemistry.chemical_classificationElectron Transport Complex IStereoisomerismSemisynthesisAntineoplastic Agents PhytogenicKineticsMitochondrial respiratory chainchemistryMolecular MedicineCattleEnantiomerOxidation-ReductionLactoneJournal of medicinal chemistry
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Tyrosinase Enzyme: 1. An Overview on a Pharmacological Target

2014

The tyrosinase enzyme (EC 1.14.18.1) is an oxidoreductase inside the general enzyme classification and is involved in the oxidation and reduction process in the epidermis. These chemical reactions that the enzyme catalyzes are of principal importance in the melanogenesis process. This process of melanogenesis is related to the melanin formation, a heteropolymer of indolic nature that provides the different tonalities in the skin and helps to the protection from the ultraviolet radiation. However, a pigment overproduction, come up by the action of the tyrosinase, can cause different disorders in the skin related to the hyperpigmentation. Several studies mainly focused on the characteristics …

Models Molecularchemistry.chemical_classificationMolecular StructureEpidermis (botany)Monophenol MonooxygenaseTyrosinaseGeneral MedicineHyperpigmentationMelaninStructure-Activity RelationshipEnzymechemistryBiochemistryOxidoreductaseDrug DiscoveryMolecular mechanismmedicineAnimalsHumansEnzyme Inhibitorsmedicine.symptomOverproductionCurrent Topics in Medicinal Chemistry
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A Tetracopper(II)-Tetraradical Cuboidal Core and Its Reactivity as a Functional Model of Phenoxazinone Synthase

2007

The coordination chemistry of the tridentate ligand N-(2-hydroxy-3,5-di-tert-butylphenyl)-2-aminobenzylalcohol H3L has been studied with the copper(II) ion. The ligand is noninnocent in the sense that it is readily oxidized in the presence of air to its o-iminobenzosemiquinonato [L*]2- radical form. The crystal structure of the synthesized tetracopper(II)-tetraradical complex [CuII4(L*)4] (1), has been determined by X-ray crystallography at 100 K. Variable-temperature (2-290 K) magnetic susceptibility measurements of complex 1 containing eight paramagnetic centers establish the spin ground state to be diamagnetic (St=0) arising from the antiferromagnetic interactions. Electrochemical measur…

Models Molecularchemistry.chemical_classificationSpectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopySpectrophotometry InfraredLigandChemistryStereochemistryCrystal structureCrystallography X-RayMagnetic susceptibilityCoordination complexInorganic ChemistryMetalMagneticsCrystallographyParamagnetismvisual_artElectrochemistryvisual_art.visual_art_mediumAntiferromagnetismReactivity (chemistry)Physical and Theoretical ChemistryOxidoreductasesCopperInorganic Chemistry
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Crystal Structure of Perakine Reductase, Founding Member of a Novel Aldo-Keto Reductase (AKR) Subfamily That Undergoes Unique Conformational Changes …

2012

Perakine reductase (PR) catalyzes the NADPH-dependent reduction of the aldehyde perakine to yield the alcohol raucaffrinoline in the biosynthetic pathway of ajmaline in Rauvolfia, a key step in indole alkaloid biosynthesis. Sequence alignment shows that PR is the founder of the new AKR13D subfamily and is designated AKR13D1. The x-ray structure of methylated His(6)-PR was solved to 2.31 Å. However, the active site of PR was blocked by the connected parts of the neighbor symmetric molecule in the crystal. To break the interactions and obtain the enzyme-ligand complexes, the A213W mutant was generated. The atomic structure of His(6)-PR-A213W complex with NADPH was determined at 1.77 Å. Overal…

Models Molecularendocrine systemConformational changeProtein ConformationStereochemistryReductaseCrystallography X-Raycomplex mixturesMethylationBiochemistryProtein Structure SecondaryRauwolfiaEvolution MolecularProtein structurehemic and lymphatic diseasesheterocyclic compoundsMolecular BiologyAldo-keto reductaseCofactor bindingbiologyChemistryorganic chemicalsActive siteCell BiologyEnzyme structureAlcohol OxidoreductasesCrystallographyProtein Structure and Foldingbiology.proteinNADPH bindingSequence AlignmentNADPProtein BindingJournal of Biological Chemistry
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A Na+-coupled C4-dicarboxylate transporter (Asuc_0304) and aerobic growth of Actinobacillus succinogenes on C4-dicarboxylates

2014

Actinobacillus succinogenes, which is known to produce large amounts of succinate during fermentation of hexoses, was able to grow on C4-dicarboxylates such as fumarate under aerobic and anaerobic conditions. Anaerobic growth on fumarate was stimulated by glycerol and the major product was succinate, indicating the involvement of fumarate respiration similar to succinate production from glucose. The aerobic growth on C4-dicarboxylates and the transport proteins involved were studied. Fumarate was oxidized to acetate. The genome of A. succinogenes encodes six proteins with similarity to secondary C4-dicarboxylate transporters, including transporters of the Dcu (C4-dicarboxylate uptake), Dcu…

Molecular Sequence Datamedicine.disease_causeModels BiologicalMicrobiologyDivalentBacterial ProteinsFumaratesmedicineDicarboxylic AcidsAmino Acid SequenceAnaerobiosisCarbon RadioisotopesEscherichia coliPhylogenyDicarboxylic Acid Transporterschemistry.chemical_classificationbiologySodiumBiological TransportSuccinatesActinobacillusGene Expression Regulation BacterialFumarate reductasebiology.organism_classificationAerobiosisTransport proteinActinobacillus succinogenesGlucoseBiochemistrychemistrySymporterFermentationCotransporterSequence AlignmentMicrobiology
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Characterization of monoclonal antibodies generated against bovine and porcine prostacyclin synthase and quantitation of bovine prostacyclin synthase

1994

AbstractMonoclonal antibodies were raised against prostacyclin synthases purified from bovine and porcine aortae, respectively. Two monoclonal antibodies, RS1 and RS2, were purified and characterized. As shown by enzyme activity precipitation and Western blot analysis, in solubilized bovine and porcine aortae microsomes the monoclonal antibodies reacted only with prostacyclin synthase. The monoclonal antibody RS1 cross-reacts with partially purified prostacyclin synthase from human umbilical veins in an ELISA-based assay. None of the antibodies inhibited the enzyme activity. By combination of the monoclonal antibody RS2 with a polyclonal antibody we established an enzyme-linked immunosorben…

Monoclonal antibodyUmbilical VeinsSwinemedicine.drug_classProstaglandinBlotting WesternBiophysicsProstaglandinEnzyme-Linked Immunosorbent AssayProstacyclinMonoclonal antibodySensitivity and SpecificityBiochemistryProstacyclin synthasechemistry.chemical_compoundCytochrome P-450 Enzyme SystemWestern blotAntibody SpecificityStructural BiologyMicrosomesGeneticsmedicineAnimalsHumansTissue DistributionIsomerasesMolecular BiologyAortaImmunosorbent Techniquesbiologymedicine.diagnostic_testAntibodies MonoclonalCell BiologyMolecular biologyImmunohistochemistryIntramolecular OxidoreductasesBiochemistrychemistryPolyclonal antibodiesImmunoquantitationProstacyclin synthasebiology.proteinImmunohistochemistryCattleAntibodymedicine.drugFEBS Letters
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Efficacy and safety of adding alirocumab to rosuvastatin versus adding ezetimibe or doubling the rosuvastatin dose in high cardiovascular-risk patien…

2015

OBJECTIVE: To compare lipid-lowering efficacy of adding alirocumab to rosuvastatin versus other treatment strategies (NCT01730053).METHODS: Patients receiving baseline rosuvastatin regimens (10 or 20 mg) were randomized to: add-on alirocumab 75 mg every-2-weeks (Q2W) (1-mL subcutaneous injection via pre-filled pen); add-on ezetimibe 10 mg/day; or double-dose rosuvastatin. Patients had cardiovascular disease (CVD) and low-density lipoprotein cholesterol (LDL-C) ≥70 mg/dL (1.8 mmol/L) or CVD risk factors and LDL-C ≥100 mg/dL (2.6 mmol/L). In the alirocumab group, dose was blindly increased at Week 12 to 150 mg Q2W (also 1-mL volume) in patients not achieving their LDL-C target. Primary endpoi…

Monoclonal antibodymedicine.medical_specialtyTime FactorsSettore MED/09 - Medicina InternaInjections SubcutaneousHypercholesterolemiaUrology030204 cardiovascular system & hematologyPharmacologyAntibodies Monoclonal Humanizedlaw.inventionPCSK9Rosuvastatin03 medical and health sciences0302 clinical medicineDouble-Blind MethodEzetimibeRandomized controlled triallawmedicineClinical endpointHumansLow-density lipoprotein cholesterolRosuvastatinIn patient030212 general & internal medicineRosuvastatin CalciumAlirocumab; Ezetimibe; Low-density lipoprotein cholesterol; Monoclonal antibody; PCSK9; Rosuvastatin; Cardiology and Cardiovascular MedicineRetrospective StudiesAlirocumabDose-Response Relationship Drugbusiness.industryAnticholesteremic AgentsPCSK9Antibodies Monoclonalnutritional and metabolic diseasesCholesterol LDLEzetimibeRosuvastatin CalciumTreatment OutcomeCardiovascular DiseasesDrug Therapy CombinationHydroxymethylglutaryl-CoA Reductase InhibitorsbusinessCardiology and Cardiovascular MedicineFollow-Up StudiesAlirocumabmedicine.drugAtherosclerosis
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Convergence of Theory and Experiment on the Role of Preorganization, Quantum Tunneling, and Enzyme Motions into Flavoenzyme-Catalyzed Hydride Transfer

2017

Hydride transfer is one of the most common reactions catalyzed by enzymatic systems, and it has become an object of study because of possible significant quantum tunneling effects. In the present work, we provide a combination of theoretical QM/MM simulations and experimental measurements of the rate constants and kinetic isotopic effects (KIEs) for the hydride transfer reaction catalyzed by morphinone reductase, MR. Quantum mechanical tunneling coefficients, computed in the framework of variational transition-state theory, play a significant role in this reaction, reaching values of 23.8 ± 5.5 for the lightest isotopologue—one of the largest values reported for enzymatic systems. This pred…

Morphinone reductase010304 chemical physicsHydrideChemistryThermodynamicsGeneral Chemistry010402 general chemistry01 natural sciencesQM/MMCatalysismolecular dynamicsArticle0104 chemical sciencesReaction coordinateQM/MMMolecular dynamicsReaction rate constantComputational chemistrykinetic isotope effectshydride transfer0103 physical sciencesmorphinone reductaseQuantumQuantum tunnelling
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