Search results for "Acid derivative"

showing 10 items of 19 documents

Synthesis, biological evaluation, and molecular docking studies of aldotetronic acid-based LpxC inhibitors

2022

: In order to develop novel inhibitors of the bacterial deacetylase LpxC bearing a substituent to target the UDP binding site of the enzyme, a series of aldotetronic acid-based hydroxamic acids was accessed in chiral pool syntheses starting from 4,6-O-benzylidene-d-glucose and l-arabinitol. The synthesized hydroxamic acids were tested for LpxC inhibitory activity in vitro, revealing benzyl ether 17a ((2S,3S)-4-(benzyloxy)-N,3-dihydroxy-2-[(4-{[4-(morpholinomethyl)phenyl]ethynyl}benzyl)oxy]butanamide) as the most potent LpxC inhibitor. This compound was additionally tested for antibacterial activity against a panel of clinically relevant Gram-negative bacteria, bacterial uptake, and suscepti…

AntibioticsBacterial uptakeLpxC inhibitorsOrganic ChemistryDrug DiscoveryAldotetronic acid derivativesMolecular-docking studiesLasBMolecular BiologyBiochemistrySettore CHIM/08 - Chimica Farmaceutica
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Asymmetric Michael Addition in Synthesis of β-Substituted GABA Derivatives

2022

γ-Aminobutyric acid (GABA) represents one of the most prolific structural units widely used in the design of modern pharmaceuticals. For example, β-substituted GABA derivatives are found in numerous neurological drugs, such as baclofen, phenibut, tolibut, pregabalin, phenylpiracetam, brivaracetam, and rolipram, to mention just a few. In this review, we critically discuss the literature data reported on the preparation of substituted GABA derivatives using the Michael addition reaction as a key synthetic transformation. Special attention is paid to asymmetric methods featuring synthetically useful stereochemical outcomes and operational simplicity. This research was funded by the National Na…

Baclofenasymmetric Michael additionγ-aminobutyric-acid derivativesOrganic ChemistryPregabalinPharmaceutical ScienceStereoisomerismQuímica farmacèuticapharmaceuticalsneurological drugsAnalytical ChemistryReaccions químiqueschiral auxiliariesChemistry (miscellaneous)Drug DiscoveryMolecular Medicineenantioselective organocatalysisPhysical and Theoretical Chemistrygamma-Aminobutyric AcidMedicaments
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Perfil químico do extrato polar de Paepalanthus microphyllus(Guill.) Kunth (Eriocaulaceae)

2004

From the ethanolic extract of the capitulae of Paepalanthus microphyllus, one caffeic acid derivative (1) was isolated. The structure of the compound was characterized by spectroscopic methods, mainly 1D and 2D NMR experiments, as well as ESMS spectrometry. In addition, three flavonoids of taxonomic relevance were isolated and identified by comparison to literature data. Do extrato etanólico dos capítulos de Paepalanthus microphyllus, isolou-se um derivado do ácido cafeico (1). Sua estrutura foi caracterizada por métodos espectroscópicos (RMN mono e bi-dimensionais) e por espetrometria de massas Electrospray. Foram, também, isolados outros três flavonóides (2-4) de interesse taxonômico, os …

Caffeic acid derivativeDerivado do ácido cafeicoEriocaulaceaePaepalanthus
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Effect of electron-withdrawing substituents on the electrophilicity of carbonyl carbons

2005

Indexación: Scopus The substituent effects on the carbonyl carbon atom for a series of twelve substituted phenyl acetates have been rationalized using a global electrophilicity index. This index is linearly correlated with the experimental reaction rate coefficients. We found that, in contrast to the proposed interpretation based on experimental 13C NMR chemical shifts and ground state destabilization calculations, the electrophilicity of carbonyl compounds increases due to the effect promoted by electron-withdrawing groups in these systems. https://www.sciencedirect.com/science/article/pii/S0040402004018046?via%3Dihub

Carbon atomChemistryChemical shiftOrganic ChemistrySubstituentcarbonyl derivativecarbonylCarbon-13 NMRcarbon nuclear magnetic resonancePhotochemistryDFT calculationsBiochemistryMedicinal chemistryParrReaction rateElectron-withdrawing effectschemistry.chemical_compoundElectronegativityDrug DiscoveryElectrophilePolar effectChemical Reactivityphenylacetic acid derivativeElectrophilicityGround state
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Preparation and structural studies on the tBu2Sn(IV) complexes with aromatic mono- and dicarboxylic acids containing hetero {N} donor atom

2004

Nine complexes of 'Bu2Sn(IV)(2+) were obtained in the solid state with ligands containing -COOH group(s) and aromatic (N) donor atom. The binding sites of the ligands were identified by FT-IR spectroscopic measurements. It was found that in most cases the -COO- groups are co-ordinated in monodentate manner. Nevertheless, in some of our complexes, the -COO- group forms bridges between two central {Sn} atoms resulting in the formation of an oligomeric structure, a motif that is characteristic only to the nicotinate compound. These pieces of information and the rationalisation of the experimental Sn-119 Mossbauer nuclear quadrupole splittings, Delta, - according to the point charge model forma…

DenticitygeometryX ray diffractionCrystal structureOrganotin(IV)nicotinic acid derivativeBiochemistryInorganic Chemistrycomplex formationMaterials ChemistryMoleculeorganotin compoundcontrolled studyPhysical and Theoretical Chemistryinfrared spectroscopychemical bindinghydrogen bondHydrogen bondChemistryMössbauer spectroscopybinding siteOrganic ChemistryarticleSquare pyramidal molecular geometryX-ray diffractionFT-IRtin derivativeTrigonal bipyramidal molecular geometryCrystallographyOctahedrondicarboxylic acidSettore CHIM/03 - Chimica Generale E Inorganicachemical structureMolecular modellingcarboxylic acidsynthesimolecular modelchemical analysiSingle crystal
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The new 5- or 6-azapyrimidine and cyanuric acid derivatives of L-ascorbic acid bearing the free C-5 hydroxy or C-4 amino group at the ethylenic space…

2011

Abstract We report on the synthesis of the novel types of cytosine and 5-azacytosine (1–9), uracil and 6-azauracil (13–18) and cyanuric acid (19–22) derivatives of l -ascorbic acid, and on their cytostatic activity evaluation in human malignant tumour cell lines vs. their cytotoxic effects on human normal fibroblasts (WI38). The CD spectra analysis revealed that cytosine (5 and 6), uracil (14–16), 6-azauracil (17) and cyanuric acid (21) derivatives of l -ascorbic acid bearing free amino group at ethylenic spacer existed as a racemic mixture of enantiomers, whereas L-ascorbic derivatives containing the C-5 substituted hydroxy group at the ethylenic spacer were obtained in (4R, 5S) enantiomer…

Double bondStereochemistryAscorbic AcidCrystallography X-Ray010402 general chemistry01 natural sciencesCell LineCytosineInhibitory Concentration 50Structure-Activity Relationship03 medical and health scienceschemistry.chemical_compound0302 clinical medicineDrug DiscoveryHumansUracilta116Pharmacologychemistry.chemical_classificationTriazinespyrimidine and cyanuric acid derivatives; L-ascorbic acid; circular dichroism; cytostatic activity evaluation; X-ray diffractionOrganic ChemistryAbsolute configurationHydrogen BondingStereoisomerismUracilBiological activityHep G2 CellsGeneral MedicineFibroblastsCytostatic AgentsAscorbic acidpyrimidine and cyanuric acid derivatives ; L-ascorbic acid ; circular dichroism ; cytostatic activity evaluation ; X-ray diffraction ; cell cycle analysis0104 chemical sciences3. Good healthchemistry030220 oncology & carcinogenesisS Phase Cell Cycle CheckpointsMCF-7 CellsCyanuric acidCytosineLactoneHeLa Cells
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3α-Hydroxy-N-(3-hydroxypropyl)-5β-cholan-24-amide

2009

The title compound, C27H47NO3, is a (3-hydroxypropyl)amide derivative of naturally occurring enantiopure lithocholic acid (3-hydroxy-5-cholan-24-oic acid). The molecule contains four fused rings: three six-membered rings in chair conformations and one five-membered ring in a half-chair form. The two terminal six-membered rings are cis-fused, while other rings are trans-fused. The structure contains an intramolecular O—H O hydrogen bond and a similar hydrogen-bond framework to the corresponding deoxycholic and chenodeoxycholic acid derivatives. Intermolecular O— H O and N—H O interactions are also present in the crystal. This compound seems to have at least two polymorphic forms from a compa…

Lithocholic acidStereochemistryHydrogen bondGeneral ChemistryCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Papersstructural chemistrychemistry.chemical_compoundchemistryAmideGeneral Materials Sciencerakennekemiasappihappojohdannainenbile acid derivativeActa Crystallographica Section E Structure Reports Online
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Hyaluronic Acid Derivative with Improved Versatility for Processing and Biological Functionalization

2016

A hydrophobic/amino functionalized derivative of hyaluronic acid (HA-EDA-C18 ) has been processed by salt leaching technique as porous scaffold without need of chemical crosslinking. Aim of this work is to demonstrate the improved versatility of HA-EDA-C18 in terms of processing and biological functionalization. In particular, the chemical procedure to tether thiol bearing RGD peptide has been described. Moreover, the possibility to load and to control the release of slightly water soluble effectors has been demonstrated by using dexamethasone. First, the swelling and degradation profiles of the scaffolds have been investigated, then the evaluation of metabolic activity of bovine chondrocyt…

Materials Chemistry2506 Metals and AlloysChemical procedurePolymers and PlasticsBioengineering02 engineering and technologyMaleimide chemistry010402 general chemistry01 natural sciencesDexamethasoneBiomaterialschemistry.chemical_compoundChondrocytesHyaluronic acidCell AdhesionmedicineMaterials ChemistryAnimalsOrganic chemistryHyaluronic AcidCell adhesionCell Proliferationchemistry.chemical_classificationRGDPolymers and PlasticTissue ScaffoldsRGD peptideDrug release021001 nanoscience & nanotechnologyHyaluronic acid derivativeBiomaterial0104 chemical scienceschemistryCollagen type IIThiolBiophysicsSurface modificationCattleLeaching (metallurgy)Swellingmedicine.symptom0210 nano-technologyPorosityBiotechnologyMacromolecular Bioscience
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Construction and evaluation of sponge scaffolds from hyaluronic acid derivatives for potential cartilage regeneration

2020

A two or one pot synthesis has been used for the reaction of hyaluronic acid (HA) with octadecylamine (C-18) and hydrazine (Hy). In both cases, the chemical derivatization involved primary hydroxyl groups of hyaluronic acid and not its carboxyl groups, whose presence is important for receptor interaction. In this way, Hy-HA-C-18 derivatives have been obtained with appropriate hydrophobic and hydrophilic character. Their ability to form homogeneous physical hydrogels has been evaluated as well as the possibility to obtain porous sponges through salt leaching technology. Sponges showing the highest porosity, potentially compatible with cell entrapment, have been characterized with regard to t…

Materials scienceBiomedical EngineeringSettore MED/08 - Anatomia PatologicaGlycosaminoglycanchemistry.chemical_compoundPhysiological conditionHyaluronidaseChemical derivatizationHyaluronic acidmedicineOrganic chemistryGeneral Materials ScienceHydrophobic and hydrophilicDerivatizationbiologyCartilageBovine chondrocyteGeneral ChemistryGeneral Medicinebiology.organism_classificationHyaluronic acid derivativeReceptor interactionSpongemedicine.anatomical_structurechemistryCartilage regenerationSettore CHIM/09 - Farmaceutico Tecnologico ApplicativoSelf-healing hydrogelsBiological propertieSwellingmedicine.symptommedicine.drugNuclear chemistryJournal of Materials Chemistry B
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The ethnobotany, phytochemistry, and biological properties of genus Phagnalon (Asteraceae): a review

2022

The genus Phagnalon Cass., included within the Asteraceae family, has a wide distribution, expanding from Macaronesia in the West to the Himalayas in the East, from S. France and N. Italy to Ethiopia and Arabian Peninsula. Various species of Phagnalon have been used in the popular medicine of several countries as medicinal herbs and food. This literature review, the first one of the Phagnalon genus, includes publications with the word ‘Phagnalon’, and considers the extracts and the single metabolites identified, characterized, and tested to evaluate their biological potential. The extracts and the secondary metabolites, have a varied application spectrum at a biological level, with antimicr…

Phagnalon sspcinnamic acid derivativessecondary metabolitesOrganic ChemistryethnopharmacologyPlant ScienceAsteraceaeBiochemistrybiological propertiesAnalytical Chemistry
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