Search results for " nuclear magnetic resonance spectroscopy"

showing 10 items of 173 documents

Single Peptide Backbone Surrogate Mutations to Regulate Angiotensin GPCR Subtype Selectivity

2020

Mutating the side-chains of amino acids in a peptide ligand, with unnatural amino acids, aiming to mitigate its short half-life is an established approach. However, it is hypothesized that mutating specific backbone peptide bonds with bioisosters can be exploited not only to enhance the proteolytic stability of parent peptides, but also to tune its receptor subtype selectivity. Towards this end, four [Y]6-Angiotensin II analogues are synthesized where amide bonds have been replaced by 1,4-disubstituted 1,2,3-triazole isosteres in four different backbone locations. All the analogues possessed enhanced stability in human plasma in comparison with the parent peptide, whereas only two of them a…

PeptidomimeticStereochemistryChemistry Multidisciplinary[SDV]Life Sciences [q-bio]G-protein-coupled receptorsPeptide[CHIM.THER]Chemical Sciences/Medicinal ChemistryLigandsClick chemistry; Competition-binding experiments; G-protein-coupled receptors; Neurotrophic effects; Peptidomimetics010402 general chemistry01 natural sciencesCatalysisSubstrate Specificityneurotrophic effectscompetition-binding experimentsAnimalsHumansPeptide bondAmino AcidsComputingMilieux_MISCELLANEOUSG protein-coupled receptorchemistry.chemical_classificationReceptors AngiotensinScience & TechnologyAngiotensin II receptor type 1010405 organic chemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryAngiotensin IIOrganic ChemistryGeneral ChemistryAngiotensin II0104 chemical sciencesAmino acidChemistryHEK293 CellschemistrypeptidomimeticsMutationPhysical Sciencesclick chemistryPeptides03 Chemical SciencesTwo-dimensional nuclear magnetic resonance spectroscopy
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Steroidal saponins from Dioscorea preussii.

2014

Abstract Three new steroidal saponins, named diospreussinosides A–C (1–3), along with two known ones (4, 5) were isolated from rhizomes of Dioscorea preussii. Their structures were elucidated mainly by 1D and 2D NMR spectroscopic analysis and mass spectrometry as (25S)-17α,25-dihydroxyspirost-5-en-3β-yl-O-α- l -rhamnopyranosyl-(1 → 4)-α- l -rhamnopyranosyl-(1 → 4)-β- d -glucopyranoside (1), (25S)-17α,25-dihydroxyspirost-5-en-3β-yl-O-α- l -rhamnopyranosyl-(1 → 4)-α- l -rhamnopyranosyl-(1 → 4)-[α- l -rhamnopyranosyl-(1 → 2)]-β- d -glucopyranoside (2), and (24S,25R)-17α,24,25-trihydroxyspirost-5-en-3β-yl-O-α- l -rhamnopyranosyl-(1 → 4)-α- l -rhamnopyranosyl-(1 → 4)-[α- l -rhamnopyranosyl-(1 → …

PharmacologyDioscorea preussiiMolecular StructureStereochemistryChemistryDioscoreaPhytosterolsGeneral MedicineSaponinsMass spectrometryHCT116 CellsRhizomeDihydroxylationCarcinoma CellDrug DiscoveryHumansDrug Screening Assays AntitumorCytotoxicityTwo-dimensional nuclear magnetic resonance spectroscopyHT29 CellsHuman colonFitoterapia
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Indole alkaloids from the coprophilous fungus Aphanoascus fulvescens

2019

Abstract The Ascomycete fungus Aphanoascus fulvescens isolated from goose dung was investigated for its secondary metabolites, yielding five new indole alkaloids okaramines V–Z (1–5) and eleven known derivatives (6–16). Their structures were determined by 1D, 2D NMR spectra and HRMS data. Compounds 6, 8, 11 and 12 showed significant to moderate cytotoxicity against the mouse lymphoma cell line L5178Y with IC50 values ranging from 4.0 to 14.7 μM. Preliminary structure-activity relationships are discussed.

PharmacologyIndole testbiology010405 organic chemistryChemistryStereochemistryMouse LymphomaGeneral MedicineFungusAphanoascus fulvescensbiology.organism_classification01 natural sciences0104 chemical sciences010404 medicinal & biomolecular chemistryGoosebiology.animalDrug DiscoveryIc50 valuesCytotoxicityTwo-dimensional nuclear magnetic resonance spectroscopyFitoterapia
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Secondary metabolites from the roots of Paronychia chionaea

2011

Two novel secondary metabolites, compounds (1–2) were isolated from the roots of Paronychia chionaea. On the basis of spectroscopic data including 1D and 2D NMR experiments (COSY, TOCSY, HSQC, and HMBC), and mass spectroscopy, their structures were established as 6- C-[α-L-arabinopyranosyl-(1→2)-β-D-glucopyranosyl]-7- O-[β-D-glucopyranosyl]-luteolin 3′-methyl ether (1), and 2-(methoxy)-2-(3,5-dimethoxy 4-hydroxyphenyl)-ethane-1,2-diol 1- O-β-D-glucopyranoside (2).

PharmacologyMagnetic Resonance SpectroscopyStereochemistryPlant ScienceGeneral MedicineChrysoeriolmedicine.diseasePlant RootsParonychiachemistry.chemical_compoundComplementary and alternative medicinechemistryDrug DiscoverymedicineGlycosidesParonychiaTwo-dimensional nuclear magnetic resonance spectroscopyHeteronuclear single quantum coherence spectroscopy
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Steroidal saponins from Dracaena marginata

2013

Three new steroidal saponins and ten known ones were isolated from the bark of Dracaena marginata, along with two known steroidal saponins from the roots. Their structures were elucidated on the basis of extensive 1D and 2D NMR experiments and mass spectrometry as (25R)-26-(beta-D-glucopyranosyloxy)3beta,22alpha-dihydroxyfurost-5-en-1beta-yl O-alpha-L-rhamnopyranosyl-(1 --> 2)-[alpha-L-rhamnopyranosyl-(1 --> 4)]-beta-D-glucopyranoside (1), (25R)-26-(beta-D-glucopyranosyloxy)-3beta,22alpha-dihydroxyfurost-5-en-1beta-yl O-alpha-L-rhamnopyranosyl-(1 --> 2)-4-O-sulfo-alpha-L-arabinopyranoside (2), and (25S)-3beta-hydroxyspirost-5-en-1beta-yl O-alpha-L-rhamnopyranosyl-(1 --> 2)-4-O-sulfo-alpha-L…

PharmacologyMagnetic Resonance SpectroscopyTraditional medicinebiologyChemistryDracaena marginataPlant ScienceGeneral MedicineNuclear magnetic resonance spectroscopySaponinsMass spectrometrybiology.organism_classificationMiceAsparagaceaeComplementary and alternative medicinevisual_artCell Line TumorDrug Discoveryvisual_art.visual_art_mediumAnimalsHumansBarkTwo-dimensional nuclear magnetic resonance spectroscopyDracaenaDracaena
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A New Aromatic Compound from the Stem Bark of Terminalia catappa

2015

A new aromatic compound 3,4,5-trimethoxyphenyl-1- O-(4-sulfo)-β-D-glucopyranoside (1), in addition to two triterpenoid saponins (chebuloside II, arjunoglucoside II), two triterpenes (arjunolic acid and 3-betulinic acid) and sitosterol-3- O-β-D-glucopyranoside have been isolated from the barks of Terminalia catappa. Their structures have been established on the basis of spectroscopic techniques (1D/2D NMR) and MS. Their cytotoxicity and anti-inflammatory activity, together with the antioxidant capacity of compound 1 were also evaluated.

PharmacologyStem barkMagnetic Resonance SpectroscopyCombretaceaeMolecular StructurePlant StemsbiologyPlant ExtractsChemistryArjunolic acidTerminaliaPlant ScienceGeneral Medicinebiology.organism_classificationTerpeneAntioxidant capacityComplementary and alternative medicineDrug DiscoveryPlant BarkTerminaliaOrganic chemistryCytotoxicityTwo-dimensional nuclear magnetic resonance spectroscopyNatural Product Communications
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Cytotoxic Bufadienolides from the Leaves of Melianthus major

2020

Melianthus major is a medicinal plant endemic to South Africa. Its leaf extract led to the isolation of five new bufadienolides, 2β-acetoxy-3,5-di-O-acetylhellebrigenin (1), 2β-acetoxy-3-O-acetylhellebrigenin (2), 2β-acetoxy-14-deoxy-15β,16β-epoxymelianthugenin (4), 2β-acetoxy-14-deoxy-15β,16β-epoxymelianthusigenin (5), and 2β-hydroxymelianthusigenin (6), and four known analogues. The structures of the compounds were elucidated using NMR and HRESIMS data analyses. The relative configurations were defined by single-crystal X-ray crystallography and NOESY correlations. The isolated compounds exhibited strong cytotoxicity against MCF-7 breast cancer cells and sensitive CCRF-CEM and multidrug-r…

Pharmacologybiology010405 organic chemistryChemistryCcrf cemOrganic ChemistryPharmaceutical Sciencemedicine.diseasebiology.organism_classification01 natural sciencesMolecular biologyMelianthus major0104 chemical sciencesAnalytical Chemistry010404 medicinal & biomolecular chemistryLeukemiaComplementary and alternative medicineDrug DiscoverymedicineIc50 valuesMolecular MedicineCytotoxic T cellBreast cancer cellsCytotoxicityTwo-dimensional nuclear magnetic resonance spectroscopyJournal of Natural Products
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Metabolites from Combretum dolichopetalum and its associated endophytic fungus Nigrospora oryzae--Evidence for a metabolic partnership.

2015

Abstract A new altersolanol derivative, 4-dehydroxyaltersolanol A ( 9 ), along with two known sesquiterpenoids, ( S )-7′-hydroxyabscisic acid ( 7 ) and ( S )-abscisic acid ( 8 ) were obtained from the endophytic fungus, Nigrospora oryzae , isolated from leaves of Combretum dolichopetalum . The host plant yielded six known compounds including ellagic acid ( 1 ), 3, 3′, 4-tri-O-methylellagic acid ( 2 ), arjunolic acid ( 3 ), 4′-dihydrophaseic acid ( 4 ), echinulin ( 5 ) and arestrictin B ( 6 ). Close structural similarities with regard to compounds 4 , 7 and 8 were observed between the metabolites from the host plant and those of the endophytic fungus. Furthermore compounds 5 and 6 are relate…

PharmacologybiologyMolecular StructureStereochemistryMouse LymphomaCombretumAnthraquinonesGeneral MedicineEndophytic fungusbiology.organism_classificationPlant Leaveschemistry.chemical_compoundMicechemistryAscomycotaCell Line TumorDrug DiscoveryEndophytesAnimalsCombretumArestrictin BNigrospora oryzaeCytotoxicityTwo-dimensional nuclear magnetic resonance spectroscopyEllagic acidFitoterapia
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Steroidal Saponins from the Fruits of Cestrum ruizteranianum

2011

Seven spirostane and furostane-type glycosides were isolated from the aqueous methanolic extract of the fruits of Cestrum ruizteranianum and characterized mainly by 2D NMR spectroscopy and mass spectrometry. These known saponins belong to the Δ5-spirostene and Δ5-furostene series and are reported in this species for the first time.

Pharmacologychemistry.chemical_classificationChromatographybiologyChemistryCestrumGlycosidePlant ScienceGeneral MedicineNuclear magnetic resonance spectroscopyMass spectrometrybiology.organism_classificationComplementary and alternative medicineDrug DiscoverySpectroscopyTwo-dimensional nuclear magnetic resonance spectroscopyNatural Product Communications
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Phytochemistry of Weigela x “kosteriana variegata” (Caprifoliaceae)

2018

One new triterpene glycoside 3- O-β-D-xylopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→3)]-β-D-xylopyranosyl-(1→4)-β-D-xylopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyloleanolic acid, was isolated from Weigela x “kosteriana variegata” (Caprifoliaceae), with three known ones. Their structures were characterized by a combination of mass spectrometry and 1D and 2D NMR spectrocopic techniques including 1H- and 13C NMR, COSY, TOCSY, NOESY, HSQC, and HMBC experiments. The toxicological properties of some glycosides were determined with a zebrafish-based assay. The results show that the most active compounds were toxic to the larvae in the range of 1 μM.

Pharmacologychemistry.chemical_classificationWeigelaPhytochemistrybiology010405 organic chemistryStereochemistryGlycosidePlant ScienceGeneral MedicineCarbon-13 NMRbiology.organism_classification01 natural sciences0104 chemical sciences010404 medicinal & biomolecular chemistryComplementary and alternative medicineTriterpenechemistryDrug DiscoveryCaprifoliaceaeTwo-dimensional nuclear magnetic resonance spectroscopyHeteronuclear single quantum coherence spectroscopyNatural Product Communications
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