Search results for "relation"

showing 10 items of 10542 documents

Inter-individual differences in the susceptibility of primary human hepatocytes towards drug-induced cholestasis are compound and time dependent.

2018

Abstract Cholestasis represents a major subtype of drug-induced liver injury and novel preclinical models for its prediction are needed. Here we used primary human hepatocytes (PHH) from different donors in 2D-sandwich (2D-sw) and/or 3D-spheroid cultures to study inter-individual differences in the response towards cholestatic hepatotoxins after short-term (48–72 hours) and long-term repeated exposures (14 days). The cholestatic liabilities of drugs were determined by comparing cell viability upon exposure to the highest non-cytotoxic drug concentration in the presence and absence of a non-cytotoxic concentrated bile acid mixture. In 2D-sw culture, cyclosporine A and amiodarone presented cl…

0301 basic medicineMaleTime Factorsmedicine.drug_classPrimary Cell CulturePharmacologyToxicologyRisk Assessment03 medical and health sciencesCholestasisSpheroids CellularmedicineHumansChlorpromazineCells CulturedAgedLiver injuryCholestasisBile acidDose-Response Relationship Drugbusiness.industryBile CanaliculiHepatotoxinTroglitazoneGeneral MedicineMiddle Agedmedicine.diseaseBosentan3. Good health030104 developmental biologyBiological Variation PopulationToxicityHepatocytesFemaleChemical and Drug Induced Liver Injurybusinessmedicine.drugToxicology letters
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Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.

2018

Rhodesain (RD) is a parasitic, human cathepsin L (hCatL) like cysteine protease produced by Trypanosoma brucei (T. b.) species and a potential drug target for the treatment of human African trypanosomiasis (HAT). A library of hCatL inhibitors was screened, and macrocyclic lactams were identified as potent RD inhibitors (Ki < 10 nM), preventing the cell-growth of Trypanosoma brucei rhodesiense (IC50 < 400 nM). SARs addressing the S2 and S3 pockets of RD were established. Three cocrystal structures with RD revealed a noncovalent binding mode of this ligand class due to oxidation of the catalytic Cys25 to a sulfenic acid (Cys–SOH) during crystallization. The P-glycoprotein efflux ratio was mea…

0301 basic medicineMaleTrypanosoma brucei rhodesienseSwineCathepsin LLactams MacrocyclicTrypanosoma bruceiCysteine Proteinase InhibitorsLigands01 natural sciencesCell LineCathepsin L03 medical and health sciencesStructure-Activity RelationshipIn vivoparasitic diseasesDrug DiscoveryHydrolaseAnimalsHumansIC50Binding SitesbiologyMolecular Structure010405 organic chemistryChemistryDrug RepositioningTrypanosoma brucei rhodesiensebiology.organism_classificationCysteine proteaseMolecular biologyTrypanocidal Agents0104 chemical sciencesRatsMice Inbred C57BLCysteine Endopeptidases030104 developmental biologyBlood-Brain Barrierbiology.proteinMolecular MedicineEffluxJournal of medicinal chemistry
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Nonacidic Farnesoid X Receptor Modulators.

2017

As a cellular bile acid sensor, farnesoid X receptor (FXR) participates in regulation of bile acid, lipid and glucose homeostasis, and liver protection. Clinical results have validated FXR as therapeutic target in hepatic and metabolic diseases. To date, potent FXR agonists share a negatively ionizable function that might compromise their pharmacokinetic distribution and behavior. Here we report the development and characterization of a high-affinity FXR modulator not comprising an acidic residue.

0301 basic medicineMalemedicine.drug_classPyridinesPeroxisome proliferator-activated receptorReceptors Cytoplasmic and NuclearATP-binding cassette transporterCholesterol 7 alpha-hydroxylase01 natural sciencesRats Sprague-Dawley03 medical and health sciencesStructure-Activity RelationshipDrug StabilityDrug DiscoverymedicineGlucose homeostasisAnimalsHumansPPAR alphaReceptorCholesterol 7-alpha-HydroxylaseATP Binding Cassette Transporter Subfamily B Member 11chemistry.chemical_classificationBile acid010405 organic chemistryChemistryHEK 293 cellsImidazolesMembrane Transport ProteinsHep G2 Cells0104 chemical sciencesMolecular Docking SimulationZolpidem030104 developmental biologyHEK293 CellsBiochemistryMolecular MedicineFarnesoid X receptorATP-Binding Cassette TransportersSterol Regulatory Element Binding Protein 1HeLa CellsJournal of medicinal chemistry
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Low-dose agalsidase beta treatment in male pediatric patients with Fabry disease: A 5-year randomized controlled trial.

2019

Abstract Background Fabry disease is a rare, X-linked, lifelong progressive lysosomal storage disorder. Severely deficient α-galactosidase A activity in males is associated with the classic phenotype with early-onset, multisystem manifestations evolving to vital organ complications during adulthood. We assessed the ability of 2 low-dose agalsidase beta regimens to lower skin, plasma, and urine globotriaosylceramide (GL-3) levels, and influence clinical manifestations in male pediatric Fabry patients. Methods In this multicenter, open-label, parallel-group, phase 3b study, male patients aged 5–18 years were randomized to receive agalsidase beta at 0.5 mg/kg 2-weekly (n = 16) or 1.0 mg/kg 4-w…

0301 basic medicineMalemedicine.medical_specialtyAbdominal painAdolescentEndocrinology Diabetes and MetabolismGlobotriaosylceramideUrologyRenal function030105 genetics & heredityBiochemistrylaw.invention03 medical and health scienceschemistry.chemical_compound0302 clinical medicineEndocrinologyRandomized controlled triallawBiopsyGeneticsmedicineHumansEnzyme Replacement TherapyChildMolecular BiologySkinKidneymedicine.diagnostic_testDose-Response Relationship Drugbusiness.industryTrihexosylceramidesEnzyme replacement therapymedicine.diseaseFabry diseaseIsoenzymesmedicine.anatomical_structureTreatment OutcomechemistryChild Preschoolalpha-GalactosidaseFabry Diseasemedicine.symptombusiness030217 neurology & neurosurgeryMolecular genetics and metabolism
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Mechanisms involved in the increased sensitivity of the rabbit basilar artery to atrial natriuretic peptide in diabetes.

2017

Atrial natriuretic peptide (ANP) is a vasodilator with significant regional differences and controversial effects in the cerebral circulation, a vascular bed particularly prone to diabetes-induced complications. The present study has investigated how alloxan-induced diabetes modifies the mechanisms involved in the response of the rabbit basilar artery to ANP. ANP (10(-12) -10(-7) M) relaxed precontracted basilar arteries, with higher potency in diabetic than in control rabbits. In arteries from both groups of animals, endothelium removal reduced ANP-induced relaxations. Inhibition of NO-synthesis attenuated ANP-induced relaxation but this attenuation was lower in diabetic than in control ra…

0301 basic medicineMalemedicine.medical_specialtyEndotheliummedicine.drug_classRabbit basilar arteryVasodilationProstanoidsNitric OxidePotassium channelsDiabetes Mellitus ExperimentalGlibenclamide03 medical and health sciencesCerebral circulationAtrial natriuretic peptidemedicine.arteryInternal medicinemedicineBasilar arteryNatriuretic peptideAnimalsAtrial natriuretic peptidePharmacologyDose-Response Relationship Drugbusiness.industryDiabetesNitric oxideIberiotoxin030104 developmental biologyEndocrinologymedicine.anatomical_structureBasilar Arterycardiovascular systemProstaglandinsRabbitsbusinessReceptors Atrial Natriuretic Factorhormones hormone substitutes and hormone antagonistsAtrial Natriuretic Factormedicine.drugEuropean journal of pharmacology
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Lorcaserin bidirectionally regulates dopaminergic function site-dependently and disrupts dopamine brain area correlations in rats

2020

Abstract Lorcaserin, which is a selective agonist of serotonin2C receptors (5-HT2CRs), is a new FDA-approved anti-obesity drug that has also shown therapeutic promise in other brain disorders, such as addiction and epilepsy. The modulation of dopaminergic function might be critical in the therapeutic effect of lorcaserin, but its exact effect is unknown. Here, we studied the effect of the peripheral administration of lorcaserin on the ventral tegmental area (VTA), the substantia nigra pars compacta (SNc) dopaminergic neural activity, dopamine (DA) dialysis levels in the nucleus accumbens and striatum and on DA tissue levels in 29 different rat brain regions. Lorcaserin (5–640 μg/kg, i.v.) m…

0301 basic medicineMalemedicine.medical_specialtySerotoninDopamineSubstantia nigraStriatumNucleus accumbensSettore BIO/09 - FisiologiaLorcaserinIntracerebral microdialysisRats Sprague-DawleyDose-Response Relationship03 medical and health sciencesCellular and Molecular Neuroscience0302 clinical medicineSingle cell extracellular recordingsRewardDopamineInternal medicineReceptor Serotonin 5-HT2CmedicineAnimals5-HT2CObesityPharmacologyDose-Response Relationship DrugPars compactaChemistryDopaminergic NeuronsDopaminergicBrainNeurochemistryBenzazepinesSerotonin2C receptorRatsVentral tegmental area030104 developmental biologyEndocrinologymedicine.anatomical_structurenervous systemSprague-DawleyDrugIntracerebral microdialysis; Neurochemistry; Obesity; Reward; Serotonin2C receptor; Single cell extracellular recordings; Animals; Benzazepines; Brain; Dopamine; Dopaminergic Neurons; Dose-Response Relationship Drug; Male; Rats; Rats Sprague-Dawley; Receptor Serotonin 5-HT2C; Serotonin 5-HT2 Receptor AgonistsIntracerebral microdialysi030217 neurology & neurosurgerySerotonin 5-HT2 Receptor Agonistsmedicine.drugReceptor
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Indomethacin counteracts the effects of chronic social defeat stress on emotional but not recognition memory in mice

2017

We have previously observed the impairing effects of chronic social defeat stress (CSDS) on emotional memory in mice. Given the relation between stress and inflammatory processes, we sought to study the effectiveness of the anti-inflammatory indomethacin in reversing the detrimental effects of CSDS on emotional memory in mice. The effects of CSDS and indomethacin on recognition memory were also evaluated. Male CD1 mice were randomly divided into four groups: non-stressed + saline (NS+SAL); non-stressed + indomethacin (NS+IND); stressed + saline (S+SAL); and stressed + indomethacin (S+IND). Stressed animals were exposed to a daily 10 min agonistic confrontation (CSDS) for 20 days. All subjec…

0301 basic medicineMalemedicine.medical_treatmentEmotionsIndomethacinlcsh:MedicineSocial SciencesAnxietySocial defeatMice0302 clinical medicineCognitionLearning and MemoryMedicine and Health SciencesPsychologylcsh:ScienceSalineObject RecognitionMammalsCognitive ImpairmentMultidisciplinaryAnimal BehaviorBehavior AnimalCognitive NeurologyAnti-Inflammatory Agents Non-SteroidalNeurologyAnimal SocialityVertebratesAnxietymedicine.symptomResearch ArticleElevated plus mazemedicine.medical_specialtyCognitive NeurosciencePsychological StressRodents03 medical and health sciencesEmotionalityMemoryInternal medicineMental Health and PsychiatrymedicineAvoidance LearningMemory impairmentAnimalsInterpersonal RelationsRecognition memorySocial stressBehaviorbusiness.industrylcsh:RCognitive PsychologyOrganismsBiology and Life SciencesDisease Models Animal030104 developmental biologyEndocrinologyAmniotesChronic DiseaseCognitive Sciencelcsh:QPerceptionbusinessZoology030217 neurology & neurosurgeryStress PsychologicalNeurosciencePLoS ONE
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An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors

2020

Botulinum toxins are neurotoxins produced by Clostridium botulinum. This toxin can be lethal for humans as a cause of botulism

0301 basic medicineModels MolecularBotulinum ToxinsDatabases FactualNeuromuscular transmissionQuantitative Structure-Activity RelationshipPharmacologymedicine.disease_cause01 natural sciencesType Alcsh:ChemistryModelsClostridium botulinumbotulinum neurotoxin ABotulismBotulinum Toxins Type Alcsh:QH301-705.5Spectroscopyfood and beveragesGeneral MedicineBotulinum neurotoxinComputer Science ApplicationsdockingPharmacophoreQuantitative structure–activity relationshipStatic ElectricityChemicalbotulinum neurotoxin A virtual screening docking 3D-QSAR molecular dynamicsMolecular Dynamics SimulationArticleCatalysisInorganic ChemistrySmall Molecule Libraries03 medical and health sciencesDatabasesmedicinePhysical and Theoretical ChemistryMolecular BiologyFactual3D-QSARVirtual screening010405 organic chemistrybusiness.industryfungiOrganic ChemistryMolecularHydrogen Bondingmedicine.diseasevirtual screeningmolecular dynamics0104 chemical sciences030104 developmental biologyModels Chemicallcsh:Biology (General)lcsh:QD1-999Docking (molecular)Clostridium botulinumbusinessInternational Journal of Molecular Sciences
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Rescuing the CFTR protein function: Introducing 1,3,4-oxadiazoles as translational readthrough inducing drugs.

2018

Nonsense mutations in the CFTR gene prematurely terminate translation of the CFTR mRNA leading to the production of a truncated protein that lacks normal function causing a more severe form of the cystic fibrosis (CF) disease. About 10% of patients affected by CF show a nonsense mutation. A potential treatment of this alteration is to promote translational readthrough of premature termination codons (PTCs) by Translational Readthrough Inducing Drugs (TRIDs) such as PTC124. In this context we aimed to compare the activity of PTC124 with analogues differing in the heteroatoms position in the central heterocyclic core. By a validated protocol consisting of computational screening, synthesis an…

0301 basic medicineModels MolecularCell SurvivalNonsense mutationCystic Fibrosis Transmembrane Conductance RegulatorSettore BIO/11 - Biologia MolecolareContext (language use)OxadiazoleSettore BIO/09 - FisiologiaCystic fibrosis03 medical and health sciencesStructure-Activity Relationship0302 clinical medicineDrug DiscoverymedicineHumansRNA MessengerGenetic disorderPharmacologyMessenger RNAOxadiazolesNonsense mutationDose-Response Relationship DrugMolecular StructureChemistryDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryTranslational readthroughPremature termination codonTranslation (biology)Settore CHIM/06 - Chimica OrganicaGeneral Medicinemedicine.diseaseSettore CHIM/08 - Chimica FarmaceuticaSmall moleculeCell biologySettore BIO/18 - Genetica030104 developmental biologyBiological targetCystic fibrosi030220 oncology & carcinogenesisHeLa CellsEuropean journal of medicinal chemistry
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Addition of thiols to the double bond of dipeptide C-terminal dehydroalanine as a source of new inhibitors of cathepsin C.

2017

Addition of thiols to double bond of glycyl-dehydroalanine and phenyl-dehydroalanine esters provided micromolar inhibitors of cathepsin C. The structure-activity studies indicated that dipeptides containing N-terminal phenylalanine exhibit higher affinity towards the enzyme. A series of C-terminal S-substituted cysteines are responsible for varying interaction with S1 binding pocket of cathepsin C. Depending on diastereomer these compounds most likely act as slowly reacting substrates or competitive inhibitors. This was proved by TLC analysis of the medium in which interaction of methyl (S)-phenylalanyl-(R,S)-(S-adamantyl)cysteinate (7i) with the enzyme was studied. Molecular modeling enabl…

0301 basic medicineModels MolecularDouble bondStereochemistryPhenylalanineCysteine Proteinase InhibitorsBiochemistryCathepsin CCathepsin CSubstrate Specificity03 medical and health scienceschemistry.chemical_compoundStructure-Activity Relationship0302 clinical medicineDehydroalanineMoietyAnimalsSulfhydryl CompoundsBinding sitechemistry.chemical_classificationDipeptideAlanineBinding SitesDehydropeptidesDiastereomerEnzyme inhibitorsGeneral MedicineDipeptidesKinetics030104 developmental biologychemistryThiol addition030220 oncology & carcinogenesisCattleBiochimie
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