Search results for "NOAC"

showing 10 items of 144 documents

CCDC 1012505: Experimental Crystal Structure Determination

2014

Related Article: M. Schubert, D. Schollmeyer, S.R. Waldvogel|2014|Acta Crystallogr.,Sect.E:Struct.Rep.Online|70|o897|doi:10.1107/S1600536814015803

Space GroupCrystallographyTriethyl 2-(234-trimethoxyphenyl)-phosphonoacetateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Pyrrolomycins as antimicrobial agents. Microwave-assisted organic synthesis and insights into their antimicrobial mechanism of action

2019

Abstract New compounds able to counteract staphylococcal biofilm formation are needed. In this study we investigate the mechanism of action of pyrrolomycins, whose potential as antimicrobial agents has been demonstrated. We performed a new efficient and easy method to use microwave organic synthesis suitable for obtaining pyrrolomycins in good yields and in suitable amount for their in vitro in-depth investigation. We evaluate the inhibitory activity towards Sortase A (SrtA), a transpeptidase responsible for covalent anchoring in Gram-positive peptidoglycan of many surface proteins involved in adhesion and in biofilm formation. All compounds show a good inhibitory activity toward SrtA, havi…

Staphylococcus aureusClinical BiochemistryPharmaceutical ScienceMicrobial Sensitivity Testsmedicine.disease_causeSettore BIO/19 - Microbiologia Generale01 natural sciencesBiochemistrychemistry.chemical_compoundBacterial ProteinsDrug DiscoverymedicinePyrrolesEnzyme InhibitorsMicrowavesMolecular BiologyEnzyme Assays010405 organic chemistryChemistryOrganic ChemistryBiofilmN-Acetylmuramoyl-L-alanine AmidaseAntimicrobialAminoacyltransferasesAntimicrobial resistance Pyrrolomycins Sortase A Staphylococcus aureus In-silico docking studies MAOS Pharmacokinetics studies Murein hydrolase activitySettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesAnti-Bacterial AgentsMolecular Docking Simulation010404 medicinal & biomolecular chemistryCysteine EndopeptidasesBiochemistryMechanism of actionDocking (molecular)Staphylococcus aureusSettore CHIM/03 - Chimica Generale E InorganicaSortase ABiofilmsPseudomonas aeruginosaMolecular MedicineOrganic synthesisPeptidoglycanmedicine.symptom
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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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On the dimerization of the primitive tRNAs: implications in the origin of genetic code.

2002

RNAs that catalyse their own aminoacylation have been recently selected in vitro. These findings support the notion that the primitive aminoacyl-tRNA synthetases may have been RNAs. In this paper, we propose a structural model for the first aminoacyl-tRNA synthetase consisting of an RNA complex formed between two primitive tRNA molecules through two intermolecular loop-strand interactions, and with implications in the origin of the genetic code.

Statistics and ProbabilityGeneticsGeneral Immunology and MicrobiologyModels GeneticApplied MathematicsRNAAminoacylationGeneral MedicineBiologyGenetic codeenvironment and public healthGeneral Biochemistry Genetics and Molecular Biologyenzymes and coenzymes (carbohydrates)RNA TransferGenetic CodeModeling and SimulationTransfer RNAbacteriaAnimalsGeneral Agricultural and Biological SciencesDimerizationJournal of theoretical biology
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Polysaccharide/polyaminoacid composite scaffolds for modified DNA release.

2009

Abstract In this work composite polymeric films or sponges, based on hyaluronic acid (HA) covalently crosslinked with α,β-poly(N-2-hydroxyethyl)(2-aminoethylcarbamate)- d , l -aspartamide (PE), have been prepared and characterized as local gene delivery systems. In particular, HA/PE scaffolds have been loaded with PE/DNA interpolyelectrolyte complexes, employing PE as a macromolecular crosslinker for HA and as a non-viral vector for DNA. In vitro studies showed that HA/PE films and sponges have high compatibility with human dermal fibroblasts and they give a sustained DNA release, whose trend can be easily tailored by varying the crosslinking ratio between HA and PE. Electrophoresis analysi…

StereochemistryMelanoma ExperimentalPharmaceutical ScienceHyaluronoglucosaminidaseElectrophoretic Mobility Shift Assaymacromolecular substancesBiologyGene deliveryTransfectionchemistry.chemical_compoundMiceTissue engineeringHyaluronic acidPolyaminesCOMPOSITE SCAFFOLD SCAFFOLD AMINOACID DNA RELEASE.AnimalsHumansHyaluronic AcidAspartameCells CulturedMolecular StructureGenetic transfertechnology industry and agricultureBiological TransportTransfectionDNAFibroblastsIn vitroKineticsCross-Linking ReagentschemistrySolubilitySettore CHIM/09 - Farmaceutico Tecnologico ApplicativoNucleic Acid ConformationDNAMacromoleculeNuclear chemistryInternational journal of pharmaceutics
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Crystal structure of ethyl 2-(di-eth-oxy-phosphor-yl)-2-(2,3,4-tri-meth-oxy-phen-yl)acetate.

2014

The title compound, C17H27O8P, was prepared by Michaelis–Arbuzov reaction of ethyl 2-bromo-2-(2,3,4-trimethoxyphenyl)acetate and triethyl phosphite. Such compounds rarely crystallize, but single crystals were recovered after the initial oil was left for approximately 10 years. The bond angle of thesp3-hybridized C atom connecting the benzene derivative with the phospho unit is widened marginally [112.5 (2)°]. The terminal P—O bond length of 1.464 (2) Å clearly indicates a double bond, whereas the two O atoms of the ethoxy groups connected to the phosphorous atom have bond lengths of 1.580 (2) Å and 1.581 (3) Å. The three methoxy groups emerge out of the benzene-ring plane due to steric hind…

Steric effectschemistry.chemical_classificationcrystal structureCrystallographyMichaelis–Arbuzov reactionDouble bondChemistryHydrogen bondGeneral ChemistryCrystal structurephosphonoacetateCondensed Matter PhysicsBioinformaticsData ReportsBond lengthCrystalCrystallographyMolecular geometryQD901-999hydrogen bondsMichaelis–Arbuzov reactionGeneral Materials Sciencenon-merohedral twinActa crystallographica. Section E, Structure reports online
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Sortase A: An ideal target for anti-virulence drug development

2014

Sortase A is a membrane enzyme responsible for the anchoring of surface-exposed proteins to the cell wall envelope of Gram-positive bacteria. As a well-studied member of the sortase subfamily catalysing the cell wall anchoring of important virulence factors to the surface of staphylococci, enterococci and streptococci, sortase A plays a critical role in Gram-positive bacterial pathogenesis. It is thus considered a promising target for the development of new anti-infective drugs that aim to interfere with important Gram-positive virulence mechanisms, such as adhesion to host tissues, evasion of host defences, and bio fi lm formation. The additional properties of sortase A as an enzyme that i…

Virulence FactorsIn silicoVirulenceBiologyGram-Positive BacteriaAntimicrobial resistanceSettore BIO/19 - Microbiologia GeneraleMicrobiologyCell membraneAntibiotic resistanceGram-positive pathogenBacterial ProteinsSortaseDrug DiscoverymedicineVirulenceSortase ABiofilmAminoacyltransferasesSettore CHIM/08 - Chimica FarmaceuticaAntivirulence drugAnti-Bacterial AgentsCysteine EndopeptidasesInfectious Diseasesmedicine.anatomical_structureBiochemistryDrug developmentSortase A inhibitorSortase A
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Streoselective hemisynthesis of heterosubstituted aminoacidsApplication on radiofluorolabeling for peptide imaging.

2017

Stereoselective hemisynthesis of lateral chain heterosubstituted aminoacids.Applications on radiofluorolabeling for peptide imaging.This thesis work, which was carried out at the Institute of Molecular Chemistry of the University of Burgundy and in collaboration with the Institute of Cognitive and Integrative Neurosciences of Aquitaine, focuses on the development of new methods for the synthesis of side chain heterosubstituted amino acids including phosphine containing or silyl groups, as well as on their applications. In a first part, the synthesis of side chain silylated amino acids is achieved without racemization using a key Wittig reaction between a phosphonium salt, derived from L-asp…

[CHIM.ORGA]Chemical Sciences/Organic chemistryPhosphoniumsSilanesTriazoles[CHIM.ORGA] Chemical Sciences/Organic chemistry[18F]-RadiofluorationPhosphoniumAminoacidsAcides aminés
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Cytosine methylation of tRNA-Asp by DNMT2 has a role in translation of proteins containing poly-Asp sequences

2015

AbstractThe Dnmt2 RNA methyltransferase catalyses the methylation of C38 in the anticodon loop of tRNA-Asp, but the molecular role of this methylation is unknown. Here, we report that mouse aspartyl-tRNA synthetase shows a four to fivefold preference for C38-methylated tRNA-Asp. Consistently, a 30% reduced charging level of tRNA-Asp was observed in Dnmt2 knockout (KO) murine embryonic fibroblast cells. Gene expression analysis with fluorescent reporter proteins fused to an N-terminal poly-Asp sequence showed that protein synthesis of poly-Asp-tagged reporter proteins was reduced in Dnmt2 KO cells as well. The same effect was observed with endogenous proteins containing poly-Asp sequences, i…

aminoacylationTRNA methylationRNATranslation (biology)Cell BiologyMethylationBiologyBiochemistryMolecular biologyregulation of translationArticleBiochemistrytRNA methylationTransfer RNADNA methylationGene expressionGeneticsProtein biosynthesisDnmt2Molecular BiologyAsp-rich proteinsCell Discovery
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