Search results for "Stereochemistry"

showing 10 items of 4831 documents

Isolation of a novel linalool disaccharide glycoside from Raspberry fruit

1991

Abstract A new linalool disaccharide glycoside ( 1a ) was isolated from raspberry fruit ( Rubus idaeus , cv. Heritage) and characterized as S-(+)-linalool 3-O-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranoside by means of spectroscopic studies.

0106 biological scienceschemistry.chemical_classificationbiology010405 organic chemistryStereochemistryRosaceae[SDV]Life Sciences [q-bio]Organic ChemistryDisaccharideGlycosideFRAMBOISIERbiology.organism_classification01 natural sciencesBiochemistry0104 chemical sciencesBlowing a raspberry[SDV] Life Sciences [q-bio]chemistry.chemical_compoundchemistryLinaloolDrug DiscoveryRubusComputingMilieux_MISCELLANEOUS010606 plant biology & botany
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Triterpene saponins of the root bark of Olax obtusifolia De Wild

2018

Abstract Four undescribed triterpenoid saponins together with five known and oleanolic acid were isolated from root bark of Olax obtusifolia De Wild. Their structures were elucidated by spectroscopic methods including 1D and 2D NMR experiments, in combination with mass spectrometry as 3-O-α- l -rhamnopyranosyl-(1→4)-α- l -rhamnopyranosyl-(1→3)-β- d -glucuronopyranosyloleanolic acid, 3-O-α- l -rhamnopyranosyl-(1→4)-α- l -rhamnopyranosyl-(1→3)-β- d -glucuronopyranosyloleanolic acid 28-O-β- d -glucopyranosyl ester, 3-O-α- l -rhamnopyranosyl-(1→3)-β- d -glucopyranosyl-(1→2)-[β- d -glucopyranosyl-(1→3)]-β- d -glucuronopyranosyloleanolic acid and 3-O-α- l -rhamnopyranosyl-(1→3)-β- d -glucopyranos…

0106 biological scienceschemistry.chemical_classificationbiologyChemistryStereochemistryPlant Sciencebiology.organism_classification01 natural sciencesBiochemistry0104 chemical sciences010404 medicinal & biomolecular chemistrychemistry.chemical_compoundTriterpenoidTriterpenevisual_artvisual_art.visual_art_mediumBarkAgronomy and Crop ScienceTwo-dimensional nuclear magnetic resonance spectroscopyOleanolic acid010606 plant biology & botanyBiotechnologyOlaxPhytochemistry Letters
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Synthesis and Cytotoxicity of 1,4-Dihydropyridines and an Unexpected 1,3-Oxazin-6-one

2016

Eight heterocycles have been prepared in a one-pot reaction manner based on the Hantzsch dihydropyridine synthesis. The synthesis afforded seven dihydropyridines (DHP) and one unexpected 1,3-oxazin-6-one. Their structures were confirmed based on NMR spectroscopy and mass spectrometry. The obtained products have been evaluated for their cytotoxicity against eight cancer cell lines and one normal cell line. Two halogenated DHPs (7 and 8) displayed cytotoxicity toward all the nine tested cancer cell lines with IC50 values from 4.10 to 58.90 μm, while others showed selective activities. DHPs (7 and 8) bearing a Me group at C(2) and C(6) as well as a halogenated substituent at C(4′) were more an…

0301 basic medicine010405 organic chemistryStereochemistryChemistryOrganic ChemistrySubstituentDihydropyridineDHPSNuclear magnetic resonance spectroscopy01 natural sciencesBiochemistryCatalysis0104 chemical sciencesInorganic ChemistryNormal cell03 medical and health scienceschemistry.chemical_compound030104 developmental biologyDrug DiscoveryIc50 valuesmedicinePhysical and Theoretical ChemistryCancer cell linesCytotoxicitymedicine.drugHelvetica Chimica Acta
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Spectrophotometric study of DNA interactions with ftorafur and its elementoorganic derivatives

2017

ABSTRACTFtorafur is an antimetabolite antitumour drug successfully used for treatment of various tumours. It is generally accepted that ftorafur is converted to 5-fluoruracil. However, some data indicate direct interactions of the compound with DNA. To test this hypothesis we have performed spectrophotometric study of DNA interactions of ftorafur and some of its elementoorganic derivatives with DNA. UV-VIS spectra of the tested compounds were recorded in absence and presence of increasing amounts of DNA. DNA caused a hypochromic effect in spectra of ftorafur, similar, but weaker effect was observed in 5-fluoruracil spectra. Trimethylgermyl derivative of ftorafur manifested a higher DNA-bind…

0301 basic medicine030102 biochemistry & molecular biologyChemistryStereochemistryHealth Toxicology and MutagenesisDna interactionIntercalation (chemistry)Infrared spectroscopyAntitumour drug010402 general chemistry01 natural sciencesPollution0104 chemical sciences03 medical and health scienceschemistry.chemical_compoundUltraviolet visible spectroscopyBromideEnvironmental ChemistryDNADNA-ethidiumNuclear chemistryToxicological & Environmental Chemistry
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Assembly of Transmembrane b-Type Cytochromes and Cytochrome Complexes

2016

Cytochromes are involved in charge-transfer reactions, and many cytochromes contain a transmembrane domain and are part of membrane-localized electron transfer chains. Protoporphyrin IX (heme b) is the first heme product in the tetrapyrrole/heme biosynthesis pathway. In contrast to c-type cytochromes, there is no need for a specialized machinery catalyzing covalent attachment of the heme molecule to a b-type apo-cytochrome, nor is the cofactor further modified, as in a-, d- and o-type cytochromes. Thus, formation of a holo-cytochrome is relatively simple for b-type cytochromes, and this class of proteins probably represents the most ancient members of transmembrane cytochromes. However, ass…

0301 basic medicine030102 biochemistry & molecular biologyHeme bindingbiologyCytochromeCytochrome bChemistryStereochemistryCytochrome cTransmembrane protein03 medical and health scienceschemistry.chemical_compoundTransmembrane domainHeme B030104 developmental biologybiology.proteinHeme
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Investigation of Isoindolo[2,1-a] quinoxaline-6-imines as Topoisomerase I Inhibitors with Molecular Modeling Methods

2017

Background: Isoindolo[2,1-alpha] quinoxalines constitute an important class of compounds which demonstrated potent antiproliferative activity against different human tumor cell lines and topoisomerase I inhibitors. In particular, their water soluble imine or iminium salts recently synthesized showed potent growth inhibitory effect on NCI-60 tumor cell line panel and biological studies performed on the most active compounds demonstrated that they cause DNA damage via topoisomerase I poisoning. Objective: Herein, we investigate with molecular modeling methods, the common features responsible for topoisomerase I inhibition of the water-soluble isoindolo[2,1-alpha] quinoxalin-6-imines, by compa…

0301 basic medicine030103 biophysicsMolecular modelStereochemistryDNA damageAntineoplastic AgentsIsoindolesTopoisomerase-I InhibitorCrystallography X-RayaromatechinStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundQuinoxalinetopotecanantiproliferativeCell Line TumorNeoplasmsQuinoxalinesquinoxalineDrug DiscoveryHumansCell Proliferationbiologypharmacophore modelTopoisomeraseIminiumGeneral MedicineSettore CHIM/08 - Chimica FarmaceuticaMolecular Docking SimulationTopoisomerase IindenoisoquinolineDNA Topoisomerases Type IchemistryDocking (molecular)dockingbiology.proteinMolecular MedicineTopoisomerase I; quinoxaline; antiproliferative; topotecan; aromatechin; indenoisoquinoline; docking; pharmacophore modelIminesTopoisomerase I InhibitorsPharmacophore
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NMR Investigation of Structures of G-Protein Coupled Receptor Folding Intermediates

2016

Folding of G-protein coupled receptors (GPCRs) according to the two-stage model (Popot, J. L., and Engelman, D. M. (1990) Biochemistry 29, 4031-4037) is postulated to proceed in 2 steps: partitioning of the polypeptide into the membrane followed by diffusion until native contacts are formed. Herein we investigate conformational preferences of fragments of the yeast Ste2p receptor using NMR. Constructs comprising the first, the first two, and the first three transmembrane (TM) segments, as well as a construct comprising TM1-TM2 covalently linked to TM7 were examined. We observed that the isolated TM1 does not form a stable helix nor does it integrate well into the micelle. TM1 is significant…

0301 basic medicine10120 Department of ChemistryBioquímicaSaccharomyces cerevisiae Proteins1303 BiochemistryProtein ConformationStereochemistrySaccharomyces cerevisiaeBiochemistryMicelleRessonància magnètica nuclear1307 Cell BiologyG03 medical and health sciencesprotein coupled receptorGPCRProtein Domains540 Chemistry1312 Molecular BiologyAmino Acid SequenceNuclear Magnetic Resonance BiomolecularMolecular BiologyMicellesG protein-coupled receptorSequence Homology Amino Acid030102 biochemistry & molecular biologyChemistryProteïnes de membranaFoldingCell BiologyTransloconPeptide FragmentsTransmembrane proteinNMRFolding (chemistry)Crystallography030104 developmental biologyStructural biology10036 Medical ClinicProtein Structure and FoldingReceptors Mating FactorHelixProtein folding
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2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors

2016

International audience; 2,3-Dihydrobenzofurans are proposed as privileged structures and used as chemical platform to design small compound libraries. By combining molecular docking calculations and experimental verification of biochemical interference, we selected some potential inhibitors of microsomal prostaglandin E2 synthase (mPGES)-1. Starting from low affinity natural product 1, by our combined approach we identified the compounds 19 and 20 with biological activity in the low micromolar range. Our data suggest that the 2,3-dihydrobenzofuran derivatives might be suitable bioinspired lead compounds for development of new generation mPGES-1 inhibitors with increased affinity.

0301 basic medicine300323-Dihydrobenzofuran privileged structure; Cancer; Inflammation; Molecular docking; mPGES-1 inhibitors; Biochemistry; Clinical Biochemistry; Molecular Biology; Molecular Medicine; Organic Chemistry; Drug Discovery3003 Pharmaceutical Science; 3003Amino Acid MotifsClinical BiochemistryGene ExpressionPharmaceutical Science01 natural sciencesClinical biochemistryBiochemistry[ CHIM ] Chemical SciencesProtein Structure Secondary[ SDV.CAN ] Life Sciences [q-bio]/Cancerchemistry.chemical_compoundLow affinityDrug DiscoveryEnzyme Inhibitors23-Dihydrobenzofuran privileged structure; Molecular docking; mPGES-1 inhibitors; Cancer; InflammationProstaglandin-E SynthasesCancerAnti-Inflammatory Agents Non-SteroidalBiological activityProto-Oncogene Proteins c-metIntramolecular OxidoreductasesMolecular Docking SimulationMolecular dockingMolecular Medicinelipids (amino acids peptides and proteins)Cell SurvivalStereochemistryMolecular Sequence Data2Antineoplastic Agents[SDV.CAN]Life Sciences [q-bio]/Cancer3-Dihydrobenzofuran privileged structureInhibitory Concentration 50Structure-Activity Relationship03 medical and health sciencesCell Line TumorMicrosomesHumans[CHIM]Chemical SciencesMolecular BiologyBenzofuransInflammationNatural product010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryEpithelial CellsmPGES-1 inhibitorsCombinatorial chemistryCombined approach0104 chemical sciences030104 developmental biologychemistryDrug DesignDrug Screening Assays Antitumor
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Synthesis and antitumor activities of 1,2,3-triazines and their benzo- and heterofused derivatives

2017

1,2,3-Triazines are a class of biologically active compounds that exhibit a broad spectrum of activities, including antibacterial, antifungal, antiviral, antiproliferative, analgesic and anti-inflammatory properties. This review, which covers the literature from the end of last century to 2016, treats, through a comprehensive, systematic approach, the 1,2,3-triazine and related benzo- and hetero-fused derivatives possessing antitumor activity. Their efficacy, combined with a simple synthesis confers to these molecules a great potential as scaffold for the development of antitumor compounds.

0301 basic medicineAntifungalModels MolecularHetero-fused 1123-Triazines Benzo[123]triazines Hetero-fused 123-triazines Antiproliferative activity Antitumor activity Nitrogen heterocyclesStereochemistrymedicine.drug_class12Antineoplastic AgentsChemistry Techniques SyntheticAntiproliferative activity01 natural sciences03 medical and health sciencesBroad spectrumNeoplasmsDrug DiscoverymedicineBenzene DerivativesAnimalsHumans3]triazinesPharmacologyAntitumor activity3-triazines1; 2; 3-Triazines; Benzo[1; 2; 3]triazines; Hetero-fused 1; 2; 3-triazines; Antiproliferative activity; Antitumor activity; Nitrogen heterocyclesBenzo[1ChemistryTriazinesNitrogen heterocyclesOrganic ChemistryBiological activityGeneral MedicineSettore CHIM/08 - Chimica FarmaceuticaCombinatorial chemistry0104 chemical sciences010404 medicinal & biomolecular chemistry030104 developmental biologyAntitumor activity
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Role of quercetin on Caco-2 cells against cytotoxic effects of alternariol and alternariol monomethyl ether.

2015

Molds of the genus Alternaria have been reported as contaminants of a variety of food and feed. Alternaria toxins such as alternariol (AOH) and its naturally occurring monomethyl ether (AME) produce cytotoxicity and oxidative stress in cell cultures. On the other hand, it has been proved that natural polyphenols have antioxidant effect. Quercetin (Quer) is a polyphenol present in berries and other commodities which exhibits these effects. The aims were to evaluate the cytotoxicity of AOH, AME and the binary combination of them, and the cytoprotective effect of Quer exposed simultaneously with AOH, AME and the mycotoxin mixture in human adenocarcinoma (Caco-2) cells. The cytotoxicity and the…

0301 basic medicineAntioxidantStereochemistrymedicine.medical_treatmentAlternariolToxicology03 medical and health scienceschemistry.chemical_compoundLactones0404 agricultural biotechnologymedicineHumansViability assayFood scienceMycotoxinCytotoxicity04 agricultural and veterinary sciencesGeneral Medicine040401 food science030104 developmental biologychemistryCaco-2PolyphenolQuercetinCaco-2 CellsQuercetinFood ScienceEthersFood and chemical toxicology : an international journal published for the British Industrial Biological Research Association
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