Search results for "structure-activity relationship"

showing 10 items of 743 documents

1,5-Disubstituted 1,2,3-Triazoles as Amide Bond Isosteres Yield Novel Tumor-Targeting Minigastrin Analogs.

2021

[Image: see text] 1,5-Disubstituted 1,2,3-triazoles (1,5-Tz) are considered bioisosteres of cis-amide bonds. However, their use for enhancing the pharmacological properties of peptides or proteins is not yet well established. Aiming to illustrate their utility, we chose the peptide conjugate [Nle(15)]MG11 (DOTA-dGlu-Ala-Tyr-Gly-Trp-Nle-Asp-Phe-NH(2)) as a model compound since it is known that the cholecystokinin-2 receptor (CCK2R) is able to accommodate turn conformations. Analogs of [Nle(15)]MG11 incorporating 1,5-Tz in the backbone were synthesized and radiolabeled with lutetium-177, and their pharmacological properties (cell internalization, receptor binding affinity and specificity, pla…

Biodistribution3-TriazolesStereochemistryPeptidomimeticmedia_common.quotation_subject1201 natural sciencesBiochemistryTurn (biochemistry)Drug Discovery[CHIM]Chemical SciencesPeptide bondInternalizationReceptorCancermedia_commonTumor Targeting[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryChemistry123-Triazoles; Peptidomimetics; Structure−activity relationships; Radiopharmaceuticals; Tumor targeting; CancerStructure-Activity RelationshipsOrganic ChemistryBiological activity0104 chemical sciences010404 medicinal & biomolecular chemistryYield (chemistry)PeptidomimeticsRadiopharmaceuticalsACS medicinal chemistry letters
researchProduct

Influence of Surface Charge and Polymer Coating on Internalization and Biodistribution of Polyethylene Glycol-Modified Iron Oxide Nanoparticles

2015

International audience; The aim of this study was to investigate the influence of the surface charge and coating of Superparamagnetic Iron Oxide Nanoparticles (SPIONs) on their in vitro and in vivo behaviors. Neutral and negatively-charged PEG-based SPIONs were synthesized and compared to Resovist (R), a carboxydextran-based SPION currently used in clinics. Their cytotoxicity, cell internalization, and potential as contrast agents for magnetic resonance imaging were assessed. Neutral pegylated SPIONs were internalized less readily by the reticuloendothelial system and showed a lower uptake by the liver, compared to negatively-charged SPIONs (with carboxydextran and PEG). These results sugge…

BiodistributionMaterials scienceCell SurvivalStatic ElectricityBiomedical EngineeringPharmaceutical ScienceMedicine (miscellaneous)NanoparticleBioengineeringNanotechnology02 engineering and technologyPolyethylene glycolMRI (Magnetic Resonance Imaging)engineering.material010402 general chemistry01 natural sciencesNanocapsulesCell LinePolyethylene GlycolsMiceStructure-Activity Relationshipchemistry.chemical_compoundCoated Materials BiocompatibleNanocapsulesIn Vivo AssaysCoatingMaterials TestingPEG ratioAnimalsHumansTissue DistributionGeneral Materials ScienceSurface chargeParticle Size[SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/MicroelectronicsMagnetite NanoparticlesMacrophagesSurface GraftingDextransHep G2 Cells021001 nanoscience & nanotechnology0104 chemical scienceschemistryChemical engineeringOrgan SpecificityengineeringNanoparticles0210 nano-technologyIron oxide nanoparticlesJournal of Biomedical Nanotechnology
researchProduct

Synthesis of 131I-labeled glucose-conjugated inhibitors of O6-methylguanine-DNA methyltransferase (MGMT) and comparison with nonconjugated inhibitors…

2006

O 6 -Substituted guanine derivatives are powerful agents used for tumor cell sensitization by inhibition of the DNA repair enzyme O 6 -methylguanine-DNA methyltransferase (MGMT). To provide targeted accumulation of MGMT inhibitors in tumor tissue as well as tools for in vivo imaging, we synthesized iodinated C 8 -alkyl-linked glucose conjugates of 2-amino-6-(5-iodothenyl)-9H-purine (O 6 -(5-iodothenyl) guanine, ITG) and 2-amino-6-(3-iodobenzyloxy)-9H-purine (O 6 -(5-iodobenzyl) guanine, IBG). These compounds have MGMT inhibitor constants (IC 5 0 values) of 0.8 and 0.45 μM for ITGG and IBGG, respectively, as determined in HeLa S3 cells after 2-h incubation with inhibitor. To substantiate tha…

BiodistributionMethyltransferaseGuanineTime FactorsDNA repairGuanineTransplantation HeterologousMice NudeAntineoplastic AgentsIn Vitro Techniqueschemistry.chemical_compoundMiceO(6)-Methylguanine-DNA MethyltransferaseStructure-Activity RelationshipIn vivoIodine IsotopesDrug DiscoveryAnimalsHumansEnzyme Inhibitorschemistry.chemical_classificationbiologyMolecular StructureXenograft Model Antitumor AssaysEnzymeGlucosechemistryBiochemistryEnzyme inhibitorbiology.proteinMolecular MedicineEx vivoHeLa CellsJournal of medicinal chemistry
researchProduct

Phosphorylation of serine residues is fundamental for the calcium-binding ability of Orchestin, a soluble matrix protein from crustacean calcium stor…

2003

International audience; Orchestia cavimana is a terrestrial crustacean, which cyclically stores calcium in diverticula of the midgut, in the form of calcified amorphous concretions. These concretions are associated with a proteinaceous matrix, the main constituent of the soluble matrix is Orchestin, an acidic calcium-binding protein [Testenière et al., Biochem. J. 361 (2002) 327-335]. In the present paper, we clearly demonstrate that Orchestin is phosphorylated on serine and tyrosine residues, but that calcium binding only occurs via the phosphoserine residues. To our knowledge, this is the first example of an invertebrate mineralization for which a post-translational modification is clearl…

BiomineralizationMESH: Amino Acid SequenceMESH: Calcium-Binding ProteinsMatrix (biology)01 natural sciencesBiochemistryCalcium in biologyMESH: TyrosineSerinechemistry.chemical_compoundMESH: Structure-Activity RelationshipStructural BiologyCrustaceaSerineElectrophoresis Gel Two-DimensionalMESH: AnimalsTyrosinePhosphorylation0303 health sciencesBiochemistryMESH: CalciumPhosphorylationElectrophoresis Polyacrylamide GelOrganic matrixProtein BindingMolecular Sequence DataBiophysicschemistry.chemical_elementCrustaceanCalciumBiology010402 general chemistryMESH: Calcification Physiologic03 medical and health sciencesStructure-Activity RelationshipCalcification PhysiologicMESH: CrustaceaGeneticsAnimalsMESH: Protein Binding[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular BiologyAmino Acid SequenceMESH: SerineMolecular Biology030304 developmental biologyCalcium metabolismMESH: Molecular Sequence DataMESH: PhosphorylationCalcium-Binding ProteinsCell BiologyMESH: Electrophoresis Gel Two-Dimensional0104 chemical scienceschemistryPhosphoserineMESH: Protein Processing Post-TranslationalTyrosineCalciumCalcium bindingProtein Processing Post-TranslationalMESH: Electrophoresis Polyacrylamide Gel
researchProduct

Structure-activity relationship of staurosporine analogs in regulating expression of endothelial nitric-oxide synthase gene.

2000

In human umbilical vein endothelial cells and in human umbilical vein endothelial cell-derived EA.hy 926 cells, staurosporine (Stsp) and its glycosidic indolocarbazole analogs 7-hydroxystaurosporine (UCN-01) and 4'-N-benzoyl staurosporine (CGP 41251) enhanced nitric-oxide synthase (NOS) III mRNA expression (analyzed by RNase protection assay), protein expression (determined by Western blot), and activity [measured by rat fetal lung fibroblast (RFL-6) reporter cell assay] in a concentration- and time-dependent manner. In contrast, the bisindolylmaleimide analogs GF 109203X, Ro 31-8220 and Go 6983 had no effect on NOS III expression, and Go 6976, a methyl- and cyanoalkyl-substituted nonglycos…

BisindolylmaleimideNitric Oxide Synthase Type IIIBiologyEndothelial NOSNitric OxideGene Expression Regulation Enzymologicchemistry.chemical_compoundStructure-Activity RelationshipAlkaloidsmedicineCyclic GMP-Dependent Protein KinasesStaurosporineAnimalsHumansDrug InteractionsRNA MessengerEnzyme InhibitorsProtein kinase APromoter Regions GeneticProtein Kinase InhibitorsProtein kinase CCells CulturedProtein Kinase CPharmacologyKinaseTumor Necrosis Factor-alphaNitric Oxide Synthase Type IIIProtein-Tyrosine KinasesStaurosporineMolecular biologyCyclic AMP-Dependent Protein KinasesRatschemistryMolecular MedicineEndothelium VascularNitric Oxide SynthaseTyrosine kinaseProtein Kinasesmedicine.drugMolecular pharmacology
researchProduct

Oleanonic acid, a 3-oxotriterpene from Pistacia, inhibits leukotriene synthesis and has anti-inflammatory activity.

2001

One of the best known bioactive triterpenoids is oleanolic acid, a widespread 3-hydroxy-17-carboxy oleanane-type compound. In order to determine whether further oxidation of carbon 3 affects anti-inflammatory activity in mice, different tests were carried out on oleanolic acid and its 3-oxo-analogue oleanonic acid, which was obtained from Pistacia terebinthus galls. The last one showed activity on the ear oedema induced by 12-deoxyphorbol-13-phenylacetate (DPP), the dermatitis induced by multiple applications of 12-O-tetradecanoyl-13-acetate (TPA) and the paw oedemas induced by bradykinin and phospholipase A2. The production of leukotriene B4 from rat peritoneal leukocytes was reduced by ol…

Blood PlateletsLeukotrienesLeukotriene B4medicine.drug_classNeutrophilsBradykininTetrazolium SaltsIn Vitro TechniquesLeukotriene B4Anti-inflammatorychemistry.chemical_compoundMiceStructure-Activity RelationshipPhospholipase A2medicineAnimalsEdemaHumansCyclooxygenase InhibitorsHypersensitivity DelayedEar ExternalOleanolic AcidOleanolic acidPeroxidasePharmacologyInflammationLeukotrienebiologyFootAnti-Inflammatory Agents Non-SteroidalBiological activityTriterpenesRatsThiazoleschemistryBiochemistryArachidonate 5-lipoxygenasePistaciabiology.proteinFemaleDrug Screening Assays AntitumorOxidation-ReductionEuropean journal of pharmacology
researchProduct

Non-steroidal Anti-inflammatory Agents, Part 19:E-2-Pyrrolizin-5-yl Acrylic Acids as Potent Dual or Selective Inhibitors of Bovine Cyclooxygenase and…

1995

The pyrrolizinyl substituted acrylic acid derivatives represent another class of dual and selective inhibitors of cyclooxygenase and 5-lipoxygenase. By modifying their substitution pattern at the phenyl moiety of C-6 the balance between the activity against cyclooxygenase and against 5-lipoxygenase can be shifted. Structure-activity relationships are discussed. Compound 6k is the most potent and well-balanced dual inhibitor of both enzymes, while the highest selectivity of lipoxygenase inhibition was found for 6j. The activity and selectivity of compounds with an additional sulfur moiety depend on the oxidation status of this atom, giving an indication of the discussed coupling between pero…

Blood PlateletsNeutrophilsStereochemistryCarboxylic acidPharmaceutical ScienceIn Vitro TechniquesSulfoneStructure-Activity Relationshipchemistry.chemical_compoundLipoxygenaseDrug DiscoveryAnimalsStructure–activity relationshipMoietyCyclooxygenase InhibitorsPyrrolesLipoxygenase Inhibitorschemistry.chemical_classificationbiologyAnti-Inflammatory Agents Non-SteroidalAcrylateschemistryEnzyme inhibitorArachidonate 5-lipoxygenasebiology.proteinCattleCyclooxygenaseArchiv der Pharmazie
researchProduct

COX-1/COX-2 inhibitors based on the methanone moiety

2002

This paper focuses on the synthesis and the in vitro testing of dual COX-1/COX-2 inhibitors. Starting from structures of non-steroidal anti-inflammatory drugs (NSAIDs) the diaryl methanone element was chosen as a lead. Modifications were carried out on this scaffold to obtain potent inhibitors of the COX enzymes. The N-(2-aroylphenyl)sulphonamides and -amides were studied in detail, and to consolidate the data evaluated the corresponding 3- and 4-regioisomers were also investigated. The potency and the enzyme selectivity were varied by structural modifications of the lead.

Blood PlateletsStereochemistrymedicine.drug_classDrug Evaluation PreclinicalCarboxamideIsozymeChemical synthesisStructure-Activity RelationshipOxazinesDrug DiscoverymedicineAnimalsPotencyMoietyCyclooxygenase InhibitorsPharmacologychemistry.chemical_classificationCyclooxygenase 2 InhibitorsMolecular StructurebiologyChemistryAnti-Inflammatory Agents Non-SteroidalOrganic ChemistryGeneral MedicineIn vitroIsoenzymesEnzymeCyclooxygenase 2Prostaglandin-Endoperoxide SynthasesEnzyme inhibitorCyclooxygenase 1biology.proteinEuropean Journal of Medicinal Chemistry
researchProduct

Development of an Easily Bioconjugatable Water-Soluble Single-Photon Emission-Computed Tomography/Optical Imaging Bimodal Imaging Probe Based on the …

2021

A water-soluble fluorescent aza-BODIPY platform (Wazaby) was prepared and functionalized by a polyazamacrocycle agent and a bioconjugable arm. The resulting fluorescent derivative was characterized and bioconjugated onto a trastuzumab monoclonal antibody as a vector. After bioconjugation, the imaging agent appeared to be stable in serum (>72 h at 37 °C) and specifically labeled HER-2-positive breast tumors slices. The bioconjugate was radiolabeled with [111In] indium and studied in vivo. The developed monomolecular multimodal imaging probe (MOMIP) is water-soluble and chemically and photochemically stable, emits in the near infrared (NIR) region (734 nm in aqueous media), and displays a goo…

Boron CompoundsFluorescence-lifetime imaging microscopyFluorophoreMice NudeQuantum yieldBreast Neoplasms01 natural sciencesMiceStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compound0302 clinical medicineNuclear magnetic resonanceDrug DevelopmentIn vivoDrug DiscoveryAnimalsHumansFluorescent DyesTomography Emission-Computed Single-PhotonBioconjugationDose-Response Relationship DrugMolecular Structure010405 organic chemistryOptical ImagingNear-infrared spectroscopyAntibodies MonoclonalMammary Neoplasms ExperimentalWaterHep G2 CellsFluorescenceImaging agent0104 chemical sciences3. Good healthSolubilitychemistry030220 oncology & carcinogenesisMolecular MedicineFemaleJournal of Medicinal Chemistry
researchProduct

Development of peptidomimetic boronates as proteasome inhibitors.

2013

Abstract Proteasome inhibition has emerged over the past decade as an effective therapeutic approach for the treatment of hematologic malignancies. It is a multicatalytic complex, whose proteolytic activity relies in three types of subunits: chymotrypsin-like (β5), trypsin-like (β2) and caspase-like (β1). Most important for the development of effective antitumor agents is the inhibition of the β5 subunits. In this context, the dipeptide boronate bortezomib (Velcade ® ) represents the first proteasome inhibitor approved by the FDA and the lead compound in drug discovery. This paper describes the synthesis and biological evaluation of a series of conformationally constrained pseudopeptide bor…

Boron CompoundsModels MolecularProteasome Endopeptidase ComplexPeptidomimeticStructure-activity relationshipsPeptidomimetic boronates; Proteasome inhibitors; Docking studiesPharmacologyPeptidomimetic boronateDockingchemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoverymedicineHumansProteasome inhibitorPharmacologyDipeptideDose-Response Relationship DrugMolecular StructureDrug discoveryBortezomibOrganic ChemistryGeneral MedicineBiochemistrychemistryProteasomeDocking (molecular)Proteasome inhibitorPeptidomimeticsLead compoundProteasome Inhibitorsmedicine.drugEuropean journal of medicinal chemistry
researchProduct