Search results for " Synthetic"

showing 10 items of 182 documents

Efficacy of a genetically engineered Candida albicans tet-NRG1 strain as an experimental live attenuated vaccine against hematogenously disseminated …

2009

ABSTRACT We report on the efficacy of the genetically engineered Candida albicans tet-NRG1 strain as an experimental live, attenuated vaccine against disseminated candidiasis in both immunocompetent and immunodeficient mice mostly dependent on T-cell immunity. This experimental vaccination model may represent an important tool to unravel the mechanisms of protective immunity during candidiasis.

Microbiology (medical)Neuregulin-1T-LymphocytesClinical BiochemistryImmunologyBiologyVaccines AttenuatedMicrobiologyMiceImmunityCandida albicansImmunology and AllergyAnimalsCandida albicansFungal vaccineVaccines SyntheticAttenuated vaccineStrain (biology)Candidiasisbiochemical phenomena metabolism and nutritionDisseminated Candidiasisbiology.organism_classificationVaccine ResearchVirologySurvival AnalysisVaccinationImmunizationFungal VaccinesClinical and vaccine immunology : CVI
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HBV core particles as a carrier for B cell/T cell epitopes.

2001

In the middle 80s, recombinant hepatitis B virus cores (HBc) gave onset to icosahedral virus-like particles (VLPs) as a basic class of non-infectious carriers of foreign immunological epitopes. The recombinant HBc particles were used to display immunodominant epitopes of hepatitis B, C, and E virus, human rhinovirus, papillomavirus, hantavirus, and influenza virus, human and simian immunodeficiency virus, bovine and feline leukemia virus, foot-and-mouth disease virus, murine cytomegalovirus and poliovirus, and other virus proteins, as well as of some bacterial and protozoan protein epitopes. Practical applicability of the HBc particles as carriers was enabled by their ability to high level …

Models MolecularAntigenicityHepatitis B virusvirusesMolecular Sequence DataMolecular ConformationEpitopes T-LymphocyteBiologymedicine.disease_causeFeline leukemia virusVirusEpitopeAntigenVirologymedicineAnimalsHumansAmino Acid SequenceAntigens ViralHepatitis B virusVaccines SyntheticPoliovirusViral Core Proteinsvirus diseasesViral VaccinesGenetic TherapySimian immunodeficiency virusbiology.organism_classificationVirologyMolecular biologyInfectious DiseasesEpitopes B-LymphocyteIntervirology
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Design, synthesis, and biological evaluation of nonsteroidal cycloalkane[d]isoxazole-containing androgen receptor modulators.

2012

We report here the design, preparation, and systematic evaluation of a novel cycloalkane[d]isoxazole pharmacophoric fragment-containing androgen receptor (AR) modulators. Cycloalkane[d]isoxazoles form new core structures that interact with the hydrophobic region of the AR ligand-binding domain. To systematize and rationalize the structure-activity relationship of the new fragment, we used molecular modeling to design a molecular library containing over 40 cycloalkane[d]isoxazole derivatives. The most potent compound, 4-(3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-2-(trifluoromethyl)benzonitrile (6a), exhibits antiandrogenic activity significantly greater than that of the most widely used …

Models MolecularBicalutamideMolecular modelStereochemistryProtein ConformationChemistry Techniques Syntheticchemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoveryChlorocebus aethiopsmedicineAnimalsIsoxazoleNonsteroidal Anti-AndrogensTrifluoromethylta1182CycloparaffinsIsoxazolesAndrogen receptorCycloalkaneBenzonitrilechemistryReceptors AndrogenDrug DesignCOS CellsMolecular MedicineHydroxyflutamidemedicine.drugJournal of medicinal chemistry
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Synthesis of Pyrrolo[1,2-a]pyrimidine Enantiomers via Domino Ring-Closure followed by Retro Diels-Alder Protocol

2017

From 2-aminonorbornene hydroxamic acids, a simple and efficient method for the preparation of pyrrolo[1,2-a]pyrimidine enantiomers is reported. The synthesis is based on domino ring-closure followed by microwave-induced retro Diels-Alder (RDA) protocols, where the chirality of the desired products is transferred from norbornene derivatives. The stereochemistry of the synthesized compounds was proven by X-ray crystallography. The absolute configuration of the product is determined by the configuration of the starting amino hydroxamic acid. peerReviewed

Models MolecularMagnetic Resonance SpectroscopyPyrimidinehydroxamic acidStereochemistryPharmaceutical ScienceChemistry Techniques SyntheticCrystallography X-RayHydroxamic Acids010402 general chemistryRing (chemistry)01 natural sciencesArticleDominoAnalytical Chemistrymicrowave chemistrylcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryPhysical and Theoretical ChemistryN-heterocyclesta116Norbornenedomino reactions; hydroxamic acid; microwave chemistry; <i>N</i>-heterocycles; retro Diels-Alder reactionHydroxamic acidMolecular Structure010405 organic chemistryretro Diels-Alder reactionOrganic Chemistrydomino reactionsAbsolute configurationStereoisomerism0104 chemical sciencesPyrimidineschemistryChemistry (miscellaneous)Molecular MedicineEnantiomerChirality (chemistry)Molecules; Volume 22; Issue 4; Pages: 613
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Molecular Rearrangement of an Aza-Scorpiand Macrocycle Induced by pH: A Computational Study †

2016

Rearrangements and their control are a hot topic in supramolecular chemistry due to the possibilities that these phenomena open in the design of synthetic receptors and molecular machines. Macrocycle aza-scorpiands constitute an interesting system that can reorganize their spatial structure depending on pH variations or the presence of metal cations. In this study, the relative stabilities of these conformations were predicted computationally by semi-empirical and density functional theory approximations, and the reorganization from closed to open conformations was simulated by using the Monte Carlo multiple minimum method Financial support by the Spanish Ministerio de Economía y Competitiv…

Models MolecularMontecarlo Mètode deMonte Carlo method01 natural sciencessupramolecular chemistryMonte Carlo Multiple Minimumlcsh:ChemistryComputational chemistryaza-scorpiandsMolecular rearrangementpH controlled; supramolecular chemistry; synthetic receptors; aza-scorpiands; semi-empirical; Density Functional Theory; Monte Carlo Multiple Minimumlcsh:QH301-705.5semi-empiricalSpectroscopyDensity Functional TheoryDensity functionalsSpatial structureChemistryGeneral MedicineHydrogen-Ion ConcentrationMolecular machineComputer Science ApplicationsMonte Carlo methodpH controlledvisual_artsynthetic receptorsvisual_art.visual_art_mediumDensity functional theoryMonte Carlo MethodMacrocyclic CompoundsSupramolecular chemistry010402 general chemistryQuímica supramolecularCatalysisArticleInorganic ChemistryMetalQuantitative Biology::Subcellular ProcessesPhysical and Theoretical ChemistryMolecular BiologyAza CompoundsFuncional de densitat Teoria del010405 organic chemistryOrganic ChemistryComputational Biology0104 chemical scienceslcsh:Biology (General)lcsh:QD1-999Synthetic ReceptorsQuantum TheorySupramolecular chemistryInternational Journal of Molecular Sciences
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Design, synthesis, and biological evaluation of novel disubstituted dibenzosuberones as highly potent and selective inhibitors of p38 mitogen activat…

2012

Synthesis, biological testing, structure-activity relationships (SARs), and selectivity of novel disubstituted dibenzosuberone derivatives as p38 MAP kinase inhibitors are described. Hydrophilic moieties were introduced at the 7-, 8-, and 9-position of the 2-phenylamino-dibenzosuberones, improving physicochemical properties as well as potency. Extremely potent inhibitors were obtained, with half-maximal inhibitory concentration (IC(50)) values in the low nM range in a whole blood assay measuring the inhibition of cytokine release. The high potency of the target compounds together with the outstanding selectivity of this novel class of compounds toward p38 mitogen activated protein (MAP) kin…

Models MolecularProtein Conformationp38 mitogen-activated protein kinasesmedicine.medical_treatmentChemistry Techniques SyntheticDibenzocycloheptenesp38 Mitogen-Activated Protein KinasesSubstrate SpecificityInhibitory Concentration 50Structure-Activity RelationshipProtein structureDrug DiscoverymedicinePotencyStructure–activity relationshipHumansProtein Kinase InhibitorsbiologyKinaseChemistryCombinatorial chemistryKineticsCytokineBiochemistryMitogen-activated protein kinaseDrug Designbiology.proteinMolecular MedicineSelectivityHydrophobic and Hydrophilic InteractionsJournal of medicinal chemistry
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Synthesis and application of β-substituted Pauson-Khand adducts: trifluoromethyl as a removable steering group.

2013

The reaction between alkynes (I) and norbornadiene (II) affords the β-substituted Pauson—Khand adducts (III) as single regioisomers and the trifluoromethyl steering group can be easily removed in the presence of DBU and water.

Models MolecularTrifluoromethylMolecular StructureChemistryNorbornadienePauson–Khand reactionRegioselectivityStereoisomerismGeneral MedicineGeneral ChemistryChemistry Techniques SyntheticCatalysisAdductchemistry.chemical_compoundAlkynesStructural isomerOrganic chemistryPolycyclic CompoundsSteering groupMicrowavesSesquiterpenesChlorofluorocarbons MethaneAngewandte Chemie (International ed. in English)
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A molecular assembly system that renders antigens of choice highly repetitive for induction of protective B cell responses.

2002

Virus like particles (VLPs) are known to induce potent B cell responses in the absence of adjuvants. Moreover, epitope-specific antibody responses may be induced by VLPs that contain peptides inserted in their immunodominant regions. However, due to steric problems, the size of the peptides capable of being incorporated into VLPs while still permitting capsid assembly, is rather limited. While peptides genetically fused to either the N- or C-terminus of VLPs present fewer assembly problems, the immune responses obtained against such epitopes are often limited, most likely because the epitopes are not optimally exposed. In addition, such particles may be less stable in vivo. Here, we show th…

Models MolecularViral Hepatitis VaccinesHepatitis B virusMacromolecular SubstancesProtein ConformationvirusesRecombinant Fusion ProteinsProtozoan ProteinsAntigens ProtozoanBiologyProtein EngineeringEpitopePhospholipases AInclusion Bodies ViralViral Matrix ProteinsMiceImmune systemAntigenVirus-like particlemedicineAnimalsB cellB-LymphocytesMice Inbred BALB CVaccines SyntheticGeneral VeterinaryGeneral Immunology and MicrobiologyImmunodominant EpitopesImmunogenicityVaccinationPublic Health Environmental and Occupational HealthMolecular biologyHepatitis B Core AntigensPeptide FragmentsCell biologyProtein Structure TertiaryHBcAgBee VenomsInfectious Diseasesmedicine.anatomical_structureCross-Linking ReagentsCapsidDrug DesignMolecular MedicineFemaleImmunizationPeptidesOligopeptidesVaccine
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Pentamethylcyclopentadienyl-rhodium and iridium complexes containing (N^N and N^O) bound chloroquine analogue ligands: synthesis, characterization an…

2016

The synthesis and characterization of twenty new pentamethylcyclopentadienyl-rhodium and iridium complexes containing N^N and N^O-chelating chloroquine analogue ligands are described. The in vitro antimalarial activity of the new ligands as well as the complexes was evaluated against the chloroquine sensitive (CQS) NF54 and the chloroquine resistant (CQR) Dd2 strains of Plasmodium falciparum. The antimalarial activity was found to be good to moderate; although all complexes are less active than artesunate, some of the ligands and complexes showed better activity than chloroquine (CQ). In particular, rhodium complexes were found to be considerably more active than iridium complexes against t…

Models Molecularantimalarial propertiesStereochemistryPlasmodium falciparumDrug ResistanceMolecular Conformationchemistry.chemical_elementCrystal structureChemistry Techniques Synthetic010402 general chemistryIridiumLigands01 natural sciencesChlorideRhodiumIridium and Rhodium complexes chloroquine analog ligands Crystal structures in vitro antimalarian activityInorganic Chemistrychemistry.chemical_compoundAntimalarialsmedicineOrganometallic CompoundsMoietyRhodiumIridiumta116iridium complexesGroup 2 organometallic chemistrySchiff basechloroquine analogue ligands010405 organic chemistrypentamethylcyclopentadienyl-rhodium complexesChloroquine0104 chemical scienceschemistryDerivative (chemistry)medicine.drug
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Synthetic antitumor vaccines containing MUC1 glycopeptides with two immunodominant domains-induction of a strong immune response against breast tumor…

2011

A shot in the arm for cancer treatment: two MUC1 tetanus toxoid vaccines were synthesized and induced a strong immune response in mice. The antibodies elicited by the vaccines show a high selectivity for the tumor cells in mammary carcinoma tissues and also distinguish between tumor tissues at different stages.

Molecular ConformationAntineoplastic AgentsBreast Neoplasmscomplex mixturesCancer VaccinesCatalysisBreast tumorMiceImmune systemmedicineAnimalsMUC1Mice Inbred BALB CVaccines SyntheticbiologyTetanusChemistryMucin-1ToxoidGlycopeptidesMammary Neoplasms ExperimentalGeneral Chemistrymedicine.diseaseGlycopeptideCancer researchbiology.proteinMCF-7 CellsExperimental pathologyFemaleAntibodyDrug Screening Assays AntitumorAngewandte Chemie (International ed. in English)
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