Search results for "L-alanine"

showing 8 items of 8 documents

Conformational properties of N-acetyl-L-alanine N',N'-dimethylamide

2004

Ab initio/DFT analysis of the conformational properties of free Ac-Ala-NMe(2) (N-acetyl-L-alanine-N',N'-dimethylamide) in terms of the N-H.O, N-H.N, C-H.O hydrogen bonds and C(delta+) = O(delta-) dipole attractions was performed. The Ala residue combined with the C-terminal tertiary amide prefers an extended conformation and that characteristic of the (i + 1)th position of the betaVIb turn. These can be easily remodelled into a structure compatible with the (i + 1)th position of the betaII/betaVIa turn. The residue has also the potential to adopt the conformation accommodated at both central positions of the betaIII/betaIII' turn or the (i + 1)th position of the betaI/beta'I turn.

Models MolecularAlkylationProtein ConformationStereochemistryMolecular ConformationAb initioCalorimetryN-acetyl-L-alanineGeneral Biochemistry Genetics and Molecular Biologyab initio/DFT calculationschemistry.chemical_compoundResidue (chemistry)AmideN-alkylpeptidesPeptide designAlanineHydrogen bondN′N′-dimethylamidesAmidesβ-turnsDipoleCrystallographyAlanine derivativechemistryThermodynamicsPeptidesActa Biochimica Polonica
researchProduct

CCDC 192133: Experimental Crystal Structure Determination

2003

Related Article: B.Rzeszotarska, D.Siodlak, M.A.Broda, I.Dybala, A.E.Koziol|2002|J.Pept.Res.|59|79|doi:10.1034/j.1399-3011.2002.10951.x

N-Acetyl-DL-alanine N'-dimethylamideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 740342: Experimental Crystal Structure Determination

2010

Related Article: J.Lapic, S.Djakovic, M.Cetina, K.Heinze, V.Rapic|2010|Eur.J.Inorg.Chem.||106|doi:10.1002/ejic.200900679

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersNN'-(Ferrocene-11'-dicarbamoyl)bis(L-alaninemethyl ester)Experimental 3D Coordinates
researchProduct

CCDC 192134: Experimental Crystal Structure Determination

2003

Related Article: B.Rzeszotarska, D.Siodlak, M.A.Broda, I.Dybala, A.E.Koziol|2002|J.Pept.Res.|59|79|doi:10.1034/j.1399-3011.2002.10951.x

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersN-Acetyl-L-alanine N'-dimethylamideExperimental 3D Coordinates
researchProduct

CCDC 611082: Experimental Crystal Structure Determination

2007

Related Article: D.Siodlak, A.Macedowska-Capiga, K.Ejsmont, J.Zaleski, B.Rzeszotarska|2007|Z.Kristallogr.|222|297|doi:10.1524/zkri.2007.222.6.297

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersN-Acetyl-N-methyl-L-alanine N'-methylamideExperimental 3D Coordinates
researchProduct

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
researchProduct

Experimental and theoretical studies on electropolymerization of polar amino acids on platinum electrode

2017

International audience; The anodic oxidation of polar amino acids (L-serine, L-threonine, L-asparagine, and L-glutamine) in aqueous electrolyte on smooth platinum electrode was carried out by cyclic voltammetry coupled to electrochemical quartz crystal microbalance (EQCM). pH (zwitterion, acidic and alkaline) effects on their electrochemical behavior were examined. The maximum current values are measured for zwitterion species. In addition, the current increases with increasing of concentration and scan rate, and decreases with increasing pH. The resulting passivation was studied by spectroscopic analysis such as attenuated total reflection FT infrared spectroscopy (ATR-FTIR), X-ray photoel…

[SPI.OTHER]Engineering Sciences [physics]/Otherab-initiopotentiometric phInorganic chemistryAnalytical chemistryl-alaninechemistry.chemical_elementInfrared spectroscopy02 engineering and technology010402 general chemistry01 natural sciencesDFTpolyanilinechemistry.chemical_compoundX-ray photoelectron spectroscopyGeneral Materials ScienceSpectroscopyl-serinepH sensingElectropolymerizationQuartz crystal microbalance[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesthin-filmchemistryadsorptionZwitterionAttenuated total reflection[ CHIM.MATE ] Chemical Sciences/Material chemistryThin polymer filmElectrodel-lysinepeptidesgold electrodeCyclic voltammetryPolar amino acid0210 nano-technologyPlatinum
researchProduct

Molybdenum(VI) complexes with a chiral L-alanine bisphenol [O,N,O,O’] ligand : Synthesis, structure, spectroscopic properties and catalytic activity

2023

Dioxidomolybdenum(VI) compound [MoO2Cl2(dmso)2] reacts with a chiral tetradentate O3N-type L-alanine bisphenol ligand precursor (Et3NH)H2Lala to form an oxidochloridomolybdenum(VI) complex [MoOCl(Lala)] (1) as two separable geometric isomers with phenolate groups in cis or trans positions. The single crystal X-ray and NMR analyses of cis- and trans-1 reveal that the complexes are formed of monomeric molecules, in which the ligand has a tetradentate coordination through three oxygen donors and one nitrogen donor. The reaction of Na2MoO4·2H2O with the same ligand precursor in an acidic methanol solution leads to the formation of an anionic dioxido complex (Et3NH)[MoO2(Lala)] (2) with a trans …

epoxidationsmolybdenumkatalyytitcatalysisL-alaninekompleksiyhdisteetmolybdeeni
researchProduct