Search results for "Absolute configuration"

showing 10 items of 121 documents

A surprising switch in absolute configuration of anti-inflammatory macrolactones.

2016

Oxacyclododecindione-type macrolactones exhibit highly potent anti-inflammatory activities even at nanomolar concentration. After the determination of the relative configuration of the stereocenters at C14 and C15 by total synthesis of 4-dechloro-14-deoxyoxacyclododecindione and 14-deoxyoxacyclododecindione, the absolute configuration has now been assigned by X-ray crystallography. Surprisingly, the absolute configuration is (14S,15R) which differs for C15 from that of the well-known derivatives of (S)-curvularin. The biological activities of both enantiomers of 14-deoxyoxacyclododecindione, obtained by racemic synthesis and optical resolution, were investigated and the ring conformation of…

Models MolecularMacrocyclic CompoundsStereochemistryAnti-Inflammatory AgentsMolecular ConformationStereoisomerism010402 general chemistryRing (chemistry)Crystallography X-Ray01 natural sciencesBiochemistryStereocenterchemistry.chemical_compoundHumansPhysical and Theoretical ChemistryNatural product010405 organic chemistryChemistryOrganic ChemistryAbsolute configurationTotal synthesisStereoisomerismCurvularinHep G2 Cells0104 chemical sciencesEnantiomerOrganicbiomolecular chemistry
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Synthesis of Pyrrolo[1,2-a]pyrimidine Enantiomers via Domino Ring-Closure followed by Retro Diels-Alder Protocol

2017

From 2-aminonorbornene hydroxamic acids, a simple and efficient method for the preparation of pyrrolo[1,2-a]pyrimidine enantiomers is reported. The synthesis is based on domino ring-closure followed by microwave-induced retro Diels-Alder (RDA) protocols, where the chirality of the desired products is transferred from norbornene derivatives. The stereochemistry of the synthesized compounds was proven by X-ray crystallography. The absolute configuration of the product is determined by the configuration of the starting amino hydroxamic acid. peerReviewed

Models MolecularMagnetic Resonance SpectroscopyPyrimidinehydroxamic acidStereochemistryPharmaceutical ScienceChemistry Techniques SyntheticCrystallography X-RayHydroxamic Acids010402 general chemistryRing (chemistry)01 natural sciencesArticleDominoAnalytical Chemistrymicrowave chemistrylcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryPhysical and Theoretical ChemistryN-heterocyclesta116Norbornenedomino reactions; hydroxamic acid; microwave chemistry; <i>N</i>-heterocycles; retro Diels-Alder reactionHydroxamic acidMolecular Structure010405 organic chemistryretro Diels-Alder reactionOrganic Chemistrydomino reactionsAbsolute configurationStereoisomerism0104 chemical sciencesPyrimidineschemistryChemistry (miscellaneous)Molecular MedicineEnantiomerChirality (chemistry)Molecules; Volume 22; Issue 4; Pages: 613
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Polyketide Derivatives from Mangrove Derived Endophytic Fungus Pseudopestalotiopsis theae

2020

Chemical investigation of secondary metabolites from the endophytic fungus Pseudopestalotiopsis theae led to the isolation of eighteen new polyketide derivatives, pestalotheols I&ndash

Models MolecularMagnetic Resonance SpectroscopyStereochemistryPharmaceutical Science010402 general chemistry01 natural sciencesArticlePolyketidepolyketideDrug DiscoverymedicineEndophytesCytotoxicityPharmacology Toxicology and Pharmaceutics (miscellaneous)IC50lcsh:QH301-705.5endophytic fungusbiologyMolecular Structure010405 organic chemistryChemistryAbsolute configurationFungibiology.organism_classification0104 chemical sciencesAcinetobacter baumanniiPseudopestalotiopsis theaelcsh:Biology (General)<i>Pseudopestalotiopsis theae</i>PolyketidesFermentationColistincytotoxicityRhizophoraceaeAntibacterial activityTwo-dimensional nuclear magnetic resonance spectroscopymedicine.drugMarine Drugs
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The unique structure of complete lipopolysaccharide isolated from semi-rough Plesiomonas shigelloides O37 (strain CNCTC 39/89) containing (2S)-O-(4-o…

2013

The complete structure of semi-rough lipopolysaccharide (SR-LPS) of Plesiomonas shigelloides CNCTC 39/89 (serotype O37) has been investigated by (1)H and (13)C NMR spectroscopy, matrix-assisted laser-desorption/ionization time-of-flight MS, and chemical methods. The following structure of the single unit of the O-antigen has been established: [formula see text] in which α-D-Lenp is (2S)-O-(4-oxopentanoic acid)-α-D-Glcp residue which has not been found in nature. The absolute configuration of oxopentanoic acid moiety in α-d-Lenose residue was determined by NOESY experiment combined with molecular modeling (MM2 force field). The decasaccharide core is substituted at C-4 of the β-D-Glcp residu…

Models MolecularMolecular modelStereochemistryMolecular Sequence DataAnalytical chemistryDisaccharideBiochemistryAnalytical Chemistrychemistry.chemical_compoundResidue (chemistry)GlucosidesCarbohydrate ConformationMoietybiologyOrganic ChemistryAbsolute configurationO AntigensGeneral MedicineCarbon-13 NMRbiology.organism_classificationLevulinic AcidsCarbohydrate SequencechemistryPlesiomonas shigelloidesPlesiomonasTwo-dimensional nuclear magnetic resonance spectroscopyCarbohydrate Research
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Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework

2020

[EN] The exact chemical structure of non-crystallising natural products is still one of the main challenges in Natural Sciences. Despite tremendous advances in total synthesis, the absolute structural determination of a myriad of natural products with very sensitive chemical functionalities remains undone. Here, we show that a metal-organic framework (MOF) with alcohol-containing arms and adsorbed water, enables selective hydrolysis of glycosyl bonds, supramolecular order with the so-formed chiral fragments and absolute determination of the organic structure by single-crystal X-ray crystallography in a single operation. This combined strategy based on a biomimetic, cheap, robust and multigr…

Multidisciplinary010405 organic chemistryChemistryChemical structureScienceQSupramolecular chemistryAbsolute configurationGeneral Physics and AstronomyTotal synthesisGeneral ChemistryMetal-organic frameworks010402 general chemistry01 natural sciencesCombinatorial chemistryGeneral Biochemistry Genetics and Molecular BiologyArticle0104 chemical sciencesCatalysisHydrolysisHydrolaseBiocatalysisMoleculelcsh:Qlcsh:ScienceNature Communications
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New potent antibacterials against Gram-positive multiresistant pathogens: effects of side chain modification and chirality in linezolid-like 1,2,4-ox…

2014

The effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles have been studied to design new potent antibacterials against Gram-positive multidrug-resistant pathogens. The adopted strategy involved a molecular modelling approach, the synthesis and biological evaluation of new designed compounds, enantiomers separation and absolute configuration assignment. Experimental determination of the antibacterial activity of the designed (S)-1-((3-(4-(3-methyl-1,2,4-oxadiazol-5- yl)phenyl)-oxazolidin-2-one-5-yl)methyl)-3-methylthiourea and (S)-1-((3-(3-fluoro-4-(3-methyl-1,2,4- oxadiazol-5-yl)phenyl)-oxazolidin-2-one-5-yl)methyl)-3-methylthiourea against multidrug resistan…

Multidrug-resistant bacteriaClinical BiochemistryAntibioticsDrug ResistanceMolecular ConformationPharmaceutical ScienceBiochemistrychemistry.chemical_compoundAntibioticsDrug Resistance Multiple BacterialDrug DiscoveryAcetamidesSide chainOxadiazolesAbsolute configurationBacterialStereoisomerismHep G2 CellsBIO/10 - BIOCHIMICA23SAnti-Bacterial AgentsMolecular Docking SimulationRNA Ribosomal 23SDrug design Linezolid Antibiotics Multidrug-resistant bacteria EnantiomersMolecular MedicineAntibacterial activityMultipleMethicillin-Resistant Staphylococcus aureusStaphylococcus aureusmedicine.drug_classStereochemistryCell SurvivalMicrobial Sensitivity TestsGram-Positive BacteriaDrug designmedicineHumansMolecular BiologyOxazolidinonesRibosomalBinding SitesOrganic ChemistryAntibioticLinezolidSettore CHIM/06 - Chimica OrganicaSettore CHIM/08 - Chimica FarmaceuticaMultiple drug resistancechemistryEnantiomersMED/07 - MICROBIOLOGIA E MICROBIOLOGIA CLINICALinezolidRNANucleic Acid ConformationEnantiomerChirality (chemistry)Bioorganicmedicinal chemistry
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ChemInform Abstract: Total Synthesis of (+)-Phenguignardic Acid, a Phytotoxic Metabolite of Guignardia bidwellii

2014

(+)-Phenguignardic acid, a phytotoxic metabolite of the grape black rot fungus Guignardia bidwellii was synthesized, as well as its enantiomer, in eight steps from (R)-phenyllactic acid and 3-phenylprop-2-yn-1-ol. The formation of the carboxylate at a late stage, to avoid enolization of the precursor used in the central acetalization step, proved to be crucial. The synthesis of the natural product allowed the unabiguous assignment of its hitherto unknown absolute configuration.

Natural productbiologyStereochemistryMetaboliteAbsolute configurationTotal synthesisGuignardiaGeneral MedicineFungusbiology.organism_classificationchemistry.chemical_compoundchemistryCarboxylateEnantiomerChemInform
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Total Synthesis of (+)-Phenguignardic Acid, a Phytotoxic Metabolite ofGuignardia bidwellii

2013

(+)-Phenguignardic acid, a phytotoxic metabolite of the grape black rot fungus Guignardia bidwellii was synthesized, as well as its enantiomer, in eight steps from (R)-phenyllactic acid and 3-phenylprop-2-yn-1-ol. The formation of the carboxylate at a late stage, to avoid enolization of the precursor used in the central acetalization step, proved to be crucial. The synthesis of the natural product allowed the unabiguous assignment of its hitherto unknown absolute configuration.

Natural productbiologyStereochemistryMetaboliteOrganic ChemistryAbsolute configurationTotal synthesisGuignardiaFungusbiology.organism_classificationchemistry.chemical_compoundchemistryOrganic chemistryCarboxylatePhysical and Theoretical ChemistryEnantiomerEuropean Journal of Organic Chemistry
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Brominated Azaphilones from the Sponge-Associated Fungus Penicillium canescens Strain 4.14.6a

2019

The fungus Penicillium canescens was isolated from the inner tissue of the Mediterranian sponge Agelas oroides. Fermentation of the fungus on solid rice medium yielded one new chlorinated diphenyl ether (1) and 13 known compounds (2-14). Addition of 5% NaBr to the rice medium increased the amounts of 4-6, while lowering the amounts of 8, 12, and 14. Furthermore, it induced the accumulation of 17 and two new brominated azaphilones, bromophilones A and B (15 and 16). Compounds 15 and 16 are the first example of azaphilones with the connection of a benzene moiety and the pyranoquinone core through a methylene group. The structures of the new compounds were elucidated based on the 1D and 2D NMR…

PharmacologyBicyclic molecule010405 organic chemistryStereochemistryOrganic ChemistryAbsolute configurationPharmaceutical ScienceEther01 natural sciences0104 chemical sciencesAnalytical Chemistry010404 medicinal & biomolecular chemistryPigmentchemistry.chemical_compoundComplementary and alternative medicinechemistryPenicillium canescensvisual_artDrug Discoveryvisual_art.visual_art_mediumMolecular MedicineMoietyFermentationMethyleneJournal of Natural Products
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Stereoselective synthesis of 1-aminoalkanephosphonic acids with two chiral centers and their activity towards leucine aminopeptidase

2003

The stereoselective synthesis of 1-amino-2-alkylalkanephosphonic acids, namely, compounds bearing two chiral centers, was achieved by the condensation of hypophosphorous acid salts of (R)(+) or (S)(-)-N-alpha-methylbenzylamine with the appropriate aldehydes in isopropanol. Simultaneous deprotection and oxidation by the action of bromine water provided equimolar mixtures of the RS:RR and SR:SS diastereomers of desired acids. They appeared to act as moderate inhibitors of kidney leucine aminopeptidase with potency dependent on the absolute configuration of both centers of chirality.

PharmacologyHypophosphorous acidChemistryStereochemistryOrganic ChemistryOrganophosphonatesDiastereomerAbsolute configurationMetalloendopeptidasesStereoisomerismStereoisomerismAminopeptidaseCatalysisAnalytical Chemistry2-PropanolLeucyl AminopeptidaseZincchemistry.chemical_compoundModels ChemicalDrug DiscoveryStereoselectivityLeucineChirality (chemistry)SpectroscopyChirality
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