Search results for "Enzyme Inhibitor"

showing 10 items of 627 documents

Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A tr…

2014

Gram-positive bacteria, in general, and staphylococci, in particular, are the widespread cause of nosocomial and community-acquired infections. The rapid evolvement of strains resistant to antibiotics currently in use is a serious challenge. Novel antimicrobial compounds have to be developed to fight these resistant bacteria, and sortase A, a bacterial cell wall enzyme, is a promising target for novel therapies. As a transpeptidase that covalently attaches various virulence factors to the cell surface, this enzyme plays a crucial role in the ability of bacteria to invade the host's tissues and to escape the immune response. In this study we have screened a small molecule library against rec…

Staphylococcus aureusClinical BiochemistryPharmaceutical ScienceVirulenceStaphylococcal infectionsmedicine.disease_causeBiochemistryBacterial cell structureMicrobiologyStructure-Activity RelationshipBacterial ProteinsSortaseDrug DiscoverymedicineFluorescence Resonance Energy TransferHumansEnzyme InhibitorsMolecular BiologybiologyChemistryOrganic ChemistryStaphylococcal InfectionsAntimicrobialmedicine.diseasebiology.organism_classificationAminoacyltransferasesHigh-Throughput Screening AssaysMolecular Docking SimulationCysteine EndopeptidasesThiazolesBiochemistryStaphylococcus aureusSortase AMolecular MedicineBacteriaBioorganicmedicinal chemistry
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Asymmetric Disulfanylbenzamides as Irreversible and Selective Inhibitors of Staphylococcus aureus Sortase A

2020

Abstract Staphylococcus aureus is one of the most frequent causes of nosocomial and community‐acquired infections, with drug‐resistant strains being responsible for tens of thousands of deaths per year. S. aureus sortase A inhibitors are designed to interfere with virulence determinants. We have identified disulfanylbenzamides as a new class of potent inhibitors against sortase A that act by covalent modification of the active‐site cysteine. A broad series of derivatives were synthesized to derive structure‐activity relationships (SAR). In vitro and in silico methods allowed the experimentally observed binding affinities and selectivities to be rationalized. The most active compounds were f…

Staphylococcus aureusmedicine.drug_classdrug designAntibioticsVirulenceMicrobial Sensitivity Testsmedicine.disease_cause01 natural sciencesBiochemistrybiofilmMicrobiology570 Life sciencesStructure-Activity RelationshipBacterial ProteinsAntibioticssortase ADrug DiscoverymedicineGeneral Pharmacology Toxicology and PharmaceuticsEnzyme InhibitorsCytotoxicityPharmacologyFull PaperDose-Response Relationship DrugMolecular Structure010405 organic chemistryChemistryOrganic ChemistryBiofilmFull PapersAminoacyltransferasesIn vitro0104 chemical sciencesAnti-Bacterial Agents010404 medicinal & biomolecular chemistryCysteine EndopeptidasesStaphylococcus aureusSortase Addc:540BenzamidesMolecular MedicineCysteine570 BiowissenschaftenChemmedchem
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A hypothetical model of the influence of inorganic phosphate on the kinetics of pyruvate kinase

2000

This paper presents a simple solution to the problem of approximating the calculated curve of reaction progress to the measured curve which is usually disturbed by initial oscillation of auxiliary lactate dehydrogenase (LDH) reaction. The experiments leading to the determination of the apparent Km for phosphoenolpyruvate (PEP) and Vm were performed. For precise estimation of kinetic parameters (Km and Vm) of the M1 isozyme of pyruvate kinase (PK), measured by coupling it to LDH reaction, the sequence of Michaelis‐Menten for pyruvate kinase and second-order kinetics for lactate dehydrogenase reaction as well as a non-zero initial concentration of lactate was assumed. The functions of apparen…

Statistics and ProbabilityStereochemistryPyruvate KinaseIn Vitro TechniquesModels BiologicalGeneral Biochemistry Genetics and Molecular BiologyPhosphatesPhosphoenolpyruvatechemistry.chemical_compoundAdenosine TriphosphateLactate dehydrogenaseAnimalsEnzyme kineticsEnzyme InhibitorsL-Lactate DehydrogenaseKinaseApplied MathematicsGeneral MedicineNADPhosphateAdenosine DiphosphateDissociation constantKineticsBiochemistrychemistryModeling and SimulationCattleUncompetitive inhibitorPhosphoenolpyruvate carboxykinasePyruvate kinaseBiosystems
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Semisynthesis of antitumoral acetogenins: SAR of functionalized alkyl-chain bis-tetrahydrofuranic acetogenins, specific inhibitors of mitochondrial c…

2000

The acetogenins of Annonaceae are known by their potent cytotoxic activity. In fact, they are promising candidates as a new future generation of antitumoral drugs to fight against the current chemiotherapic resistant tumors. The main target enzyme of these compounds is complex I (NADH:ubiquinone oxidoreductase) of the mitochondrial respiratory chain, a key enzymatic complex of energy metabolism. In an attempt to characterize the relevant structural factor of the acetogenins that determines the inhibitory potency against this enzyme, we have prepared a series of bis-tetrahydrofuranic acetogenins with different functional groups along the alkyl chain. They comprise several oxo, hydroxylimino,…

StereochemistryAntineoplastic AgentsIn Vitro TechniquesChemical synthesisLactonesStructure-Activity RelationshipOxidoreductaseDrug DiscoveryAnimalsNADH NADPH OxidoreductasesEnzyme InhibitorsFuransAlkylchemistry.chemical_classificationElectron Transport Complex Ibiologybiology.organism_classificationSemisynthesisMitochondriaMitochondrial respiratory chainchemistryEnzyme inhibitorAnnonaceaebiology.proteinMolecular MedicineCattleLactoneJournal of medicinal chemistry
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Tucumanin, a β-hydroxy-γ-lactone bistetrahydrofuranic acetogenin from Annona cherimolia, is a potent inhibitor of mitochondrial complex I

2004

A new β-hydroxy-γ-methyl-γ-lactone bistetrahydrofuranic acetogenin, tucumanin, with the infrequent symmetrical threo/trans/threo/trans/ threo relative configuration at the tetrahydrofuran rings was isolated from Annona cherimolia (Annonaceae) seeds. The inhibitory potency on the mitochondrial complex I of acetogenins with this relative configuration (tucumanin and asimicin) was compared with that shown by the corresponding pairs with an asymmetrical threo/trans/threo/trans/erythro relative configuration (laherradurin/rolliniastatin-2, and itrabin/molvizarin). All these compounds act as selective inhibitors of mitochondrial complex 1 in the 0.18 - 1.55 nM range. Fil: Barrachina, Isabel. Univ…

StereochemistryChemical structurePharmaceutical Scienceinhibitory potencyBiologyAnnonaMitochondria HeartAnalytical Chemistry//purl.org/becyt/ford/1 [https]chemistry.chemical_compoundInhibitory Concentration 50LactonesDrug Discovery//purl.org/becyt/ford/1.4 [https]HumansEnzyme InhibitorsAnnona cherimoliaFuransTetrahydrofuranPharmacologychemistry.chemical_classificationElectron Transport Complex IPlant ExtractsOtras Ciencias QuímicasOrganic ChemistryDiastereomerCiencias Químicasbiology.organism_classificationβ-hydroxy-γ-methyl-γ-lactoneComplementary and alternative medicinechemistryAnnonaceaeAnnona cherimolia (Annonaceae)AcetogeninSeedsMolecular MedicineMitochondrial Complex ILactonemitochondrial complex ICIENCIAS NATURALES Y EXACTASPhytotherapy
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Gamma-lactone-Functionalized antitumoral acetogenins are the most potent inhibitors of mitochondrial complex I.

2001

To study the relevance of the terminal alpha,beta-unsaturated gamma-methyl-gamma-lactone moiety of the antitumoral acetogenins of Annonaceae for potent mitochondrial complex I inhibition, we have prepared a series of semisynthetic acetogenins with modifications only in this part of the molecule, from the natural rolliniastatin-1 (1) and cherimolin-1 (2). Some of the hydroxylated derivatives (1b, 1d and 1e) in addition to two infrequent natural beta-hydroxy gamma-methyl gamma-lactone acetogenins, laherradurin (3) and itrabin (4), are more potent complex I inhibitors than any other known compounds.

StereochemistryClinical BiochemistrySubmitochondrial ParticlesPharmaceutical ScienceAntineoplastic AgentsMitochondrionBiochemistryMitochondria HeartLactonesMagnoliopsidaMultienzyme ComplexesDrug DiscoveryMoietyAnimalsNADH NADPH OxidoreductasesFuransMolecular Biologychemistry.chemical_classificationElectron Transport Complex IbiologyMolecular StructureOrganic ChemistryBiological activitybiology.organism_classificationIn vitroEnzymechemistryEnzyme inhibitorAnnonaceaebiology.proteinMolecular MedicineCattleLactoneBioorganicmedicinal chemistry letters
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Kinetic properties of hexameric tyrosinase from the crustacean Palinurus elephas.

2008

Tyrosinases catalyze hydroxylation of monophenols to o-diphenols and their subsequent oxidation to o-quinones, whereas catecholoxidases catalyze only the latter reaction. Both enzymes occur in all organisms and are Type 3 copper proteins that perform the first steps of melanin formation. In arthropods, they play an essential role in the sclerotization of the exoskeleton. Very few phenoloxidases are characterized structurally or kinetically and the existence of an actual tyrosinase activity has not been demonstrated in most cases. Here we present for the first time a complete kinetic characterization of a tyrosinase from a crustacean (Palinurus elephas) including the influence of inhibitors.…

StereochemistryCopper proteinTyrosinaseDopamineAllosteric regulationTyramineCooperativityBiologyBiochemistryBinding CompetitiveHydroxylationchemistry.chemical_compoundNon-competitive inhibitionAnimalsMimosinePhysical and Theoretical ChemistryEnzyme InhibitorsPalinuridaechemistry.chemical_classificationBinding SitesMolecular StructureMonophenol MonooxygenaseGeneral MedicinePhenylthioureaKineticsEnzymechemistryBiochemistryMimosineAllosteric SitePhotochemistry and photobiology
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Two fungal lanostane derivatives as phospholipase A2 inhibitors.

1996

The hydroalcoholic extract of Poria cocos and two lanostane derivatives isolated from it, pachymic acid (1) and dehydrotumulosic acid (2), were active as inhibitors of phospholipase A2 from snake venom when a polarographic method was used. Dehydrotumulosic acid exhibited an IC50 of 0.845 mM. These two compounds are structurally related to certain triterpenoids from Ganoderma and Schinus that have previously been described as competitive inhibitors of phospholipase A2. These comprise a new group of natural potential antiinflammatory agents due to their interaction with that enzyme.

StereochemistryGanodermaCarboxylic acidPharmaceutical SciencePharmacognosyLanostanePhospholipases AAnalytical ChemistryPolyporaceaechemistry.chemical_compoundPhospholipase A2Oxygen ConsumptionTriterpeneDrug DiscoveryEnzyme InhibitorsPharmacologychemistry.chemical_classificationbiologyOrganic Chemistrybiology.organism_classificationTriterpenesPhospholipases A2Complementary and alternative medicinechemistryBiochemistryEnzyme inhibitorSnake venombiology.proteinMolecular MedicinePolarographySnake VenomsJournal of natural products
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Bisbenzyltetrahydroisoquinolines, a New Class of Inhibitors of the Mitochondrial Respiratory Chain Complex I

2004

Four bisbenzyltetrahydroisoquinoline alkaloids (-)-medelline, (+)-antioquine, (+)-aromoline, and (+)-obamegine were isolated from the fruits of Xylopia columbiana. These compounds, the previously isolated alkaloids (+)-thaligrisine and (+)-isotetrandrine, as well as their O-acetylated derivatives were assayed on submitochondrial particles from beef heart as inhibitors of the mammalian respiratory chain. The results revealed that these alkaloids act as selective inhibitors of mitochondrial complex I in a 0.15 - 4.71 microM range. O-Acetylation, which increases their lipophilicity, considerably increased the inhibitory potency.

StereochemistryRespiratory chainAnnonaceaePharmaceutical ScienceBiologyBenzylisoquinolinesMitochondria HeartAnalytical Chemistrylaw.inventionElectron TransportInhibitory Concentration 50lawDrug DiscoveryAnimalsNADH NADPH Oxidoreductasesheterocyclic compoundsMitochondrial respiratory chain complex ISubmitochondrial particleEnzyme InhibitorsPharmacologyPlant ExtractsOrganic Chemistrybiology.organism_classificationElectron transport chainComplementary and alternative medicineBiochemistryAnnonaceaeLipophilicityMolecular MedicineCattlePhytotherapyXylopiaPhytotherapyPlanta Medica
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Specific interactions of monotetrahydrofuranic annonaceous acetogenins as inhibitors of mitochondrial complex I.

2000

Annonaceous acetogenins (ACG) are a wide group of cytotoxic compounds isolated from plants of the Annonaceae family. Some of them are promising candidates to be a future new generation of antitumor drugs due to the ability to inhibit the NADH:ubiquinone oxidoreductase of the respiratory chain (mitochondrial complex I), main gate of the energy production in the cell. ACG are currently being tested on standard antitumor trials although little is known about the structure activity relationship at the molecular level. On recent studies, the relevance of several parts of the molecule for the inhibitory potency has been evaluated. Due to the great diversity of skeletons included in this family of…

StereochemistryRespiratory chainHerb-Drug InteractionsToxicologyMitochondria HeartLactonesOxidoreductaseMultienzyme ComplexesMoleculeMoietyStructure–activity relationshipAnimalsDrug InteractionsNADH NADPH OxidoreductasesEnzyme InhibitorsFuransAlkylChromatography High Pressure Liquidchemistry.chemical_classificationElectron Transport Complex IbiologyPlant ExtractsGeneral Medicinebiology.organism_classificationAntineoplastic Agents PhytogenicchemistryElectron Transport Complex IBiochemistryAnnonaceaeSeedsCattlePhytotherapyChemico-biological interactions
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