Search results for "absolute configuration"

showing 10 items of 121 documents

Structure of a polysaccharide from the lipopolysaccharides of Vibrio vulnificus strains CECT 5198 and S3-I2-36, which is remarkably similar to the O-…

2009

High-molecular-mass polysaccharides were released by mild acid degradation of the lipopolysaccharides of two wild-type Vibrio vulnificus strain, a flagellated motile strain CECT 5198 and a non-flagellated non-motile strain S3-I2-36. Studies by sugar analysis and partial acid hydrolysis along with (1)H and (13)C NMR spectroscopies showed that the polysaccharides from both strains have the same trisaccharide repeating unit of the following structure: --4)-beta-d-GlcpNAc3NAcylAN-(1--4)-alpha-l-GalpNAmA-(1--3)-alpha-d-QuipNAc-(1--where QuiNAc stands for 2-acetamido-2,6-dideoxyglucose, GalNAmA for 2-acetimidoylamino-2-deoxygalacturonic acid, GlcNAc3NAcylAN for 2-acetamido-3-acylamino-2,3-dideoxy…

LipopolysaccharidesSpectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopyLipopolysaccharideStereochemistryMolecular Sequence DataMalatesVibrio vulnificusPolysaccharideBiochemistryAnalytical Chemistrychemistry.chemical_compoundTrisaccharideVibrio vulnificuschemistry.chemical_classificationMolecular StructurebiologyStrain (chemistry)Polysaccharides BacterialOrganic ChemistryAbsolute configurationGeneral Medicinebiology.organism_classificationPseudoalteromonasCarbohydrate SequencechemistryBiochemistryMalic acidBacteriaCarbohydrate Research
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Terpioside B, a difucosyl GSL from the marine sponge Terpios sp. is a potent inhibitor of NO release.

2010

Terpioside B (2a), a unique glycolipid containing two fucose residues in the furanose form in its pentasaccharide chain, was isolated from the marine sponge Terpios sp. Its complete stereostructure was solved by interpretation of mass spectrometric and NMR data along with CD and GG-MS analyses of its degradation products. Terpioside B is a potent inhibitor against LPS-induced NO release, and is considerably more active than simpler glycosphingolipids such as terpioside A and monoglucosylceramide.

LipopolysaccharidesTerpiosStereochemistryClinical BiochemistryMolecular ConformationPharmaceutical ScienceNitric Oxide01 natural sciencesBiochemistryFucoseCell Line03 medical and health scienceschemistry.chemical_compoundGlycolipidDrug DiscoveryAnimalsMolecular Biology030304 developmental biologychemistry.chemical_classification0303 health sciencesbiology010405 organic chemistryChemistryMacrophagesOrganic ChemistryAbsolute configurationGlycosphingolipidOligosaccharideMacrophage Activationbiology.organism_classificationFuranose0104 chemical sciencesPoriferaSpongeBiochemistryMolecular MedicineGlycolipidsBioorganicmedicinal chemistry
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Stereochemistry of terpene derivatives. Part 3: Hydrolytic kinetic resolution as a convenient approach to chiral aminohydroxyiminocaranes with local …

2002

Abstract We have developed a stereoselective hydrolytic kinetic resolution process for diastereoisomeric mixtures of epoxyiminocarene intermediates in the presence of ( R , R )-(−)-(salen)Co(III)OAc catalyst, this was applied as the first step in the synthesis of novel chiral aminohydroxyiminocarane derivatives with local anaesthetic activity. The absolute configuration of the product was confirmed by X-ray crystallography.

Local anaestheticChemistryStereochemistryOrganic ChemistryAbsolute configurationCatalysisCatalysisKinetic resolutionInorganic ChemistryTerpeneHydrolysisOrganic chemistryStereoselectivityPhysical and Theoretical ChemistryTetrahedron-Asymmetry
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Acid rearrangment of epoxy-germacranolides and absolute configuration of 1beta, 10alpha-epoxy-salonitenolide

2010

The acid-catalyzed cyclization of mono epoxides of cnicin acetonide (3) was investigated. Several 6,12-eudesmanolides were obtained, and their stereochemistry established by extensive spectroscopic analyses. Chemical correlations also led to the assignment of the absolute configuration of 1beta,10alpha-epoxy-salonitenolide (13), a previously isolated natural product. The cytotoxic activities of some compounds were determined against A549 and MCF-7 tumor cell lines. The esterified germacranolides 2-6 were selectively cytotoxic against the MCF-7 breast cancer cell line.

Magnetic Resonance SpectroscopyMolecular StructurePlant ExtractsCentaureaSettore CHIM/06 - Chimica Organicagermacranolides epoxygermacranolides cyclization eudesmanolides absolute configuration cytotoxicityAntineoplastic Agents PhytogenicSesquiterpenes GermacraneCell Line TumorHumansDrug Screening Assays AntitumorSesquiterpenesSicilyCell Proliferation
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A New Cacospongionolide Inhibitor of Human Secretory Phospholipase A2 from the Tyrrhenian Sponge Fasciospongia cavernosa and Absolute Configuration o…

1998

A new inhibitor of human secretory phospholipase A2 (PLA2), cacospongionolide E (4a), has been isolated from the Tyrrhenian sponge Fasciospongia cavernosa. The structure was proposed on the basis of spectroscopic data and by chemical transformations. The absolute configuration of cacospongionolides 2a-4a was established using the modified Mosher's method. Cacospongionolide E was the most potent inhibitor toward human synovial PLA2, showing higher potency than the reference compound manoalide and exerting no signs of toxicity on human neutrophils. It showed high activity in the Artemia salina bioassay and moderate toxicity in the fish (Gambusia affinis) lethality assay.

Magnetic Resonance SpectroscopySpectrophotometry InfraredMolecular ConformationPharmaceutical ScienceMass SpectrometryPhospholipases AAnalytical ChemistryCyprinodontiformesManoalidechemistry.chemical_compoundPhospholipase A2Synovial FluidDrug DiscoveryAnimalsHumansBioassayEnzyme InhibitorsFuransPancreasPyransPharmacologybiologyVenomsOrganic ChemistryAbsolute configurationBiological activitybiology.organism_classificationPoriferaPhospholipases A2SpongeComplementary and alternative medicinechemistryBiochemistryEnzyme inhibitorbiology.proteinMolecular MedicineSpectrophotometry UltravioletDrug Screening Assays AntitumorArtemia salinaJournal of Natural Products
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Sesquiterpenoids from the Endophytic Fungus Rhinocladiella similis

2019

Ten new sesquiterpenoid derivatives, rhinomilisins A-J (1-10), along with six known analogues (11-16), were isolated from the mangrove-derived endophytic fungus Rhinocladiella similis. The structures of the new compounds were elucidated by their NMR and MS data, while the absolute configuration of 3 and 6 was determined by X-ray crystallographic analysis and Mosher's method, respectively. All isolated compounds (1-16) were evaluated for their cytotoxicity against the mouse lymphoma cell line L5178Y, and compounds 1, 7, and 15 showed moderate activity with IC50 values of 5.0, 8.7, and 24.4 μM, respectively.

Magnetic Resonance SpectroscopyStereochemistryPharmaceutical ScienceModerate activityCrystallography X-Ray01 natural sciencesAnalytical ChemistryMiceAscomycotaDrug DiscoveryEndophytesIc50 valuesAnimalsCytotoxicityPharmacology010405 organic chemistryChemistryMouse LymphomaOrganic ChemistryAbsolute configurationNuclear magnetic resonance spectroscopyEndophytic fungus0104 chemical sciences010404 medicinal & biomolecular chemistryComplementary and alternative medicineRhinocladiella similisMolecular MedicineSesquiterpenesJournal of Natural Products
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Characterization of DNA adducts at the bay region of dibenz[a,h]anthracene formed in vitro

1993

Bay region diolepoxide-DNA adducts of dibenz[a,h]anthracene (DBA) formed in vitro were identified and their absolute stereochemistry was assigned. After activation of [5,12-14C]DBA with liver microsomes obtained from Aroclor 1254 treated male Sprague-Dawley rats in the presence of calf thymus DNA for 1 h, the amount of DNA adducts was found to be 9.9 +/- 2.4 pmol/mg DNA, calculated on the basis of the portion of radioactivity eluted from the HPLC reversed-phase column with a water/acetonitrile gradient. Bay region diolepoxide-DNA adducts represented 27.5% of radioactivity associated with DNA adducts. The absolute configuration of the various adducts was determined from the reaction of the (…

MaleCancer ResearchAnthraceneMetaboliteAbsolute configurationStereoisomerismDNAGeneral MedicineIn Vitro TechniquesHigh-performance liquid chromatographyMedicinal chemistryRatsAdductRats Sprague-DawleyDNA Adductschemistry.chemical_compoundchemistryBiochemistryDeoxyadenosineBenz(a)AnthracenesMicrosomes LiverAnimalsDeoxyguanosineDibenz(ah)anthraceneBiotransformationCarcinogenesis
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Synthesis, configuration, and calcium modulatory properties of enantiomerically pure 5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylates.

1992

Enantiomerically pure hexahydroquinolinones of the structural type 9 were prepared by a variation of the Hantzsch synthesis in which an optically active acetoacetate served as a chiral auxiliary reagent. Determinations of the de and ee values are described. The absolute configurations of the optically pure products were characterized by single-crystal X-ray analysis. The antipodes 9a and 9b exhibited calcium antagonistic activities on smooth musculature; the (S)-(-)-enantiomer 9b was the more potent compound with regard to the EC50 values which differed by a factor of 100; the intrinsic activity of 9b was 1.2, compared with a value of 0.54 for 9a. On the other hand, R-(+)-9a exerted positiv…

MaleIntrinsic activityGuinea PigsMolecular Conformationchemistry.chemical_elementCalciumQuinolonesMedicinal chemistrychemistry.chemical_compoundX-Ray DiffractionIleumDrug DiscoveryAnimalsHeart AtriaAortaChiral auxiliaryBicyclic moleculeMolecular StructureEnantioselective synthesisAbsolute configurationBiological activityStereoisomerismPapillary MusclesAtrial FunctionCalcium Channel BlockersElectric StimulationchemistryReagentMolecular MedicineFemaleMuscle ContractionJournal of medicinal chemistry
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Synthesis, resolution, stereochemistry, and molecular modeling of (R)- and (S)-2-acetyl-1-(4’-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol…

2007

Abstract Recently we identified ( R , S )-2-acetyl-1-(4′-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline ( 6 ) as a potent non-competitive AMPA receptor antagonist able to prevent epileptic seizures. We report here the optimized synthesis of compound 6 , its resolution by chiral preparative HPLC, and the absolute configuration of ( R )-enantiomer established by X-ray diffractometry. The biological tests of the single enantiomers revealed that higher anticonvulsant and antagonistic effects reside in ( R )-enantiomer as also suggested by molecular modeling studies.

MaleModels MolecularMolecular modelStereochemistryClinical BiochemistryPharmaceutical ScienceConvulsantsAMPA receptorCrystallography X-RayBiochemistryChemical synthesisMicrowave-assisted synthesisEnantiomeric resolutionchemistry.chemical_compoundMiceSeizuresTetrahydroisoquinolinesTetrahydroisoquinolineDrug DiscoveryAnticonvulsantAnimalsMolecular BiologyMolecular StructureTetrahydroisoquinolineOrganic ChemistryAntagonistAbsolute configurationTetrahydroisoquinoline; Microwave-assisted synthesis; Enantiomeric resolution; AnticonvulsantBiological activityStereoisomerismRatschemistryReceptors GlutamateMolecular MedicineEnantiomerExcitatory Amino Acid Antagonists
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Structure-Guided, Single-Point Modifications in the Phosphinic Dipeptide Structure Yield Highly Potent and Selective Inhibitors of Neutral Aminopepti…

2014

Seven crystal structures of alanyl aminopeptidase from Neisseria meningitides (the etiological agent of meningitis, NmAPN) complexed with organophosphorus compounds were resolved to determine the optimal inhibitor–enzyme interactions. The enantiomeric phosphonic acid analogs of Leu and hPhe, which correspond to the P1 amino acid residues of well-processed substrates, were used to assess the impact of the absolute configuration and the stereospecific hydrogen bond network formed between the aminophosphonate polar head and the active site residues on the binding affinity. For the hPhe analog, an imperfect stereochemical complementarity could be overcome by incorporating an appropriate P1 side…

MeningitidesStereochemistryHeteroatomAminopeptidases01 natural sciencesArticleLeucyl AminopeptidaseStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundDrug DiscoveryHumansProtease Inhibitors030304 developmental biology0303 health sciencesBinding SitesDipeptidebiology010405 organic chemistryHydrogen bondAbsolute configurationActive siteLigand (biochemistry)0104 chemical scienceschemistryAminophosphonateDrug Designbiology.proteinMolecular MedicineJournal of Medicinal Chemistry
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