Search results for "Mace"

showing 10 items of 4713 documents

Use of deep learning methods to translate drug-induced gene expression changes from rat to human primary hepatocytes

2020

In clinical trials, animal and cell line models are often used to evaluate the potential toxic effects of a novel compound or candidate drug before progressing to human trials. However, relating the results of animal and in vitro model exposures to relevant clinical outcomes in the human in vivo system still proves challenging, relying on often putative orthologs. In recent years, multiple studies have demonstrated that the repeated dose rodent bioassay, the current gold standard in the field, lacks sufficient sensitivity and specificity in predicting toxic effects of pharmaceuticals in humans. In this study, we evaluate the potential of deep learning techniques to translate the pattern of …

0301 basic medicineGene ExpressionGene Expression Regulation/drug effectsPathology and Laboratory MedicineConvolutional neural networkTOXICITYMachine LearningVoeding Metabolisme en GenomicaTime Measurement0302 clinical medicineGene expressionMedicine and Health SciencesMeasurementClinical Trials as TopicMultidisciplinaryArtificial neural networkPharmaceuticsQRMetabolism and GenomicsTOXICOGENOMICS030220 oncology & carcinogenesisMetabolisme en GenomicaMedicineEngineering and TechnologyNutrition Metabolism and GenomicsHepatocytes/drug effectsAlgorithmsResearch ArticleComputer and Information SciencesClinical Trials as Topic/statistics & numerical dataNeural NetworksGenetic ToxicologyTOXICOLOGYSciencePredictive ToxicologyComputational biologyBiologyComputer03 medical and health sciencesDose Prediction MethodsDeep LearningVoedingArtificial IntelligenceIn vivoGeneticsLife ScienceAnimalsHumansGeneNutritionbusiness.industryDeep learningBiology and Life SciencesGold standard (test)REPRESENTATIONSRats030104 developmental biologyGene Expression RegulationHepatocytesArtificial intelligenceNeural Networks ComputerToxicogenomicsbusinessNeuroscience
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Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.

2017

We present a new approach that incorporates flexibility based on extensive MD simulations of protein-ligand complexes into structure-based pharmacophore modeling and virtual screening. The approach uses the multiple coordinate sets saved during the MD simulations and generates for each frame a pharmacophore model. Pharmacophore models with the same pharmacophore features are pooled. In this way the high number of pharmacophore models that results from the MD simulation is reduced to only a few hundred representative pharmacophore models. Virtual screening runs are performed with every representative pharmacophore model; the screening results are combined and rescored to generate a single hi…

0301 basic medicineGeneral Chemical EngineeringDrug Evaluation PreclinicalLibrary and Information SciencesMolecular Dynamics Simulationcomputer.software_genreLigandsLigandScoutCommon Hits Approach (CHA)03 medical and health sciencesMolecular dynamicsUser-Computer InterfaceComputational chemistryPharmacophore ModelingFlexibility (engineering)Virtual screeningChemistryFrame (networking)ProteinsGeneral ChemistryInto-structureSettore CHIM/08 - Chimica FarmaceuticaComputer Science Applications030104 developmental biologyData miningPharmacophorecomputerJournal of chemical information and modeling
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Genetics and Gene Therapy of Anderson-Fabry Disease.

2018

Fabry's disease is a genetic disorder of X-linked inheritance caused by mutations in the alpha galactosidase A gene resulting in deficiency of this lysosomal enzyme. The progressive accumulation of glycosphingolipids, caused by the inadequate enzymatic activity, is responsible of organ dysfunction and thus of clinical manifestations. In the presence of a high clinical suspicion, a careful physical examination and specific laboratory tests are required, finally diagnosis of Fabry's disease is confirmed by the demonstration of absence or reduced alpha-galactosidase A enzyme activity in hemizygous men and gene typing in heterozygous females; in fact the performance of enzymatic activity assay …

0301 basic medicineGenetic enhancementChaperone therapyDisease030204 cardiovascular system & hematologyBioinformaticsMice0302 clinical medicineAlpha galactosidase ADrug DiscoveryGenetics (clinical)KidneybiologyTrihexosylceramidesGenetic disorderEnzyme replacement therapyDependovirusRecombinant ProteinsAlpha galactosidase A; Chaperone therapy; Enzyme replacement therapy; Fabry disease; Gene therapy; Viral vectors; Molecular Medicine; Molecular Biology; Genetics; Drug Discovery3003 Pharmaceutical Science; Genetics (clinical)Isoenzymesmedicine.anatomical_structureMolecular Medicinemedicine.symptomGenetic Vectors03 medical and health sciencesGene therapyViral vectorRare DiseasesGeneticGeneticsmedicineAnimalsHumansEnzyme Replacement TherapyMolecular BiologyAlpha-galactosidasebusiness.industryDrug Discovery3003 Pharmaceutical ScienceOrgan dysfunctionGenetic Therapymedicine.diseaseFabry diseaseDisease Models Animal030104 developmental biologyalpha-GalactosidaseMutationbiology.proteinFabry DiseasebusinessBiomarkersCurrent gene therapy
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Nutrient sensing pathways as therapeutic targets for healthy ageing

2017

Introduction: In the present paper, the authors have discussed anti-aging strategies which aim to slow the aging process and to delay the onset of age-related diseases, focusing on nutrient sensing pathways (NSPs) as therapeutic targets. Indeed, several studies have already demonstrated that both in animal models and humans, dietary interventions might have a positive impact on the aging process through the modulation of these pathways. Areas covered: Achieving healthy aging is the main challenge of the twenty-first century because lifespan is increasing, but not in tandem with good health. The authors have illustrated different approaches that can act on NSPs, modulating the rate of the ag…

0301 basic medicineGerontologyAgingLongevityClinical Biochemistryanti-aging approacheNutrient sensingClinical biochemistry03 medical and health sciencesDietary interventionsnutrient sensing pathwayDrug DiscoveryAnimalsHumansMedicineNutritional Physiological PhenomenaHealthy agingSettore MED/04 - Patologia GeneralePharmacologybusiness.industryDrug Discovery3003 Pharmaceutical ScienceAge FactorsDiet030104 developmental biologyDietary SupplementsMolecular Medicinedietary patternnutraceuticalHealthy ageingbusinessExpert Opinion on Therapeutic Targets
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Effects of ibuprofen and carbamazepine on the ion transport system and fatty acid metabolism of temperature conditioned juveniles of Solea senegalens…

2018

The increasing presence of pharmaceuticals in aquatic environments in the last decades, derived from human and veterinary use, has become an important environmental problem. Previous studies have shown that ibuprofen (IB) and carbamazepine (CBZ) modify physiological and biochemical processes in Senegalese sole (Solea senegalensis) in a temperature-dependent manner. In other vertebrates, there is evidence that both of these pharmaceuticals interfere with the ‘arachidonic acid (AA) cascade’, which is responsible for the biosynthesis of numerous enzymes that are involved in the osmoregulatory process. The present work aims to study the temperature-dependent effects of these two pharmaceuticals…

0301 basic medicineGillGillsHealth Toxicology and MutagenesisATPaseAcclimatizationIbuprofen010501 environmental sciencesKidney01 natural scienceschemistry.chemical_compoundOsmoregulationProtein IsoformsIntestinal MucosaNa+ K+ -ATPasebiologyFatty AcidsTemperatureGeneral MedicineWater-Electrolyte BalancePollutionEicosapentaenoic acidIntestinesCarbamazepineBiochemistryOsmoregulationFlatfishesPharmaceuticalsArachidonic acidSodium-Potassium-Exchanging ATPasemedicine.medical_specialtyBiochemical Phenomena03 medical and health sciencesInternal medicinemedicineAnimalsNa+/K+-ATPaseFatty acids0105 earth and related environmental sciencesIon TransportFatty acid metabolismMarinePublic Health Environmental and Occupational HealthLipid MetabolismEnzyme assay030104 developmental biologyEndocrinologyFishchemistryProstaglandin-Endoperoxide Synthasesbiology.proteinWater Pollutants ChemicalEcotoxicology and environmental safety
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MPLA-coated hepatitis B virus surface antigen (HBsAg) nanocapsules induce vigorous T cell responses in cord blood derived human T cells.

2016

Chronic hepatitis B virus (HBV) infection is the most prevalent serious liver infection in the world. A frequent route of infection represents mother-to-child transmission. Efficient control of HBV replication depends on antigen-specific cellular immune response mediated by dendritic cells (DCs). Aim of the present study was to evaluate optimized adjuvant combinations, efficiently maturing monocyte-derived neonatal and adult dendritic cells (moDCs). In addition, the potential of polymeric HBsAg-nanocapsules (HBsAg-NCs) was investigated regarding up-take by moDCs and the subsequent induction of specific T cell responses in a human co-culture model. Simultaneous stimulation of moDCs with MPLA…

0301 basic medicineHBsAgHepatitis B virusT cellT-LymphocytesBiomedical EngineeringPharmaceutical ScienceMedicine (miscellaneous)Bioengineeringmedicine.disease_causeVirus03 medical and health sciences0302 clinical medicineImmune systemNanocapsulesmedicineHumansGeneral Materials ScienceHepatitis B VaccinesHepatitis B virusLiver infectionHepatitis B Surface Antigensbusiness.industryDendritic CellsHepatitis Bmedicine.diseaseFetal BloodHepatitis BVirology030104 developmental biologymedicine.anatomical_structureImmunologyAntigens SurfaceMolecular MedicinebusinessCD80030215 immunologyNanomedicine : nanotechnology, biology, and medicine
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Effects of 3,5-diiodo-L-thyronine on the liver of high fat diet fed rats

2016

Experimental studies have highlighted that the administration of 3,5-diiodo-L-thyronine (T2) to rats fed diets rich in lipids induces a decrease of cholesterol and triglycerides plasma levels and body weight (BW) without inducing liver steatosis. On the basis of these observations we carried out some experimental <em>in vivo</em> studies to assess the effects of multiple high doses of T2 on the pituitary thyroid axis of rats fed diet rich in lipids. Fifteen male Wistar rats were divided into three groups of five animals each. The first group (N group) received standard diet, the second group was fed with a high fat diet (HFD group), while the third group (HFDT2 group) was additi…

0301 basic medicineHepatic steatosismedicine.medical_specialtyPlant ScienceAdrenocorticotropic hormoneHepatic steatosi010501 environmental sciencesBiologySettore BIO/09 - Fisiologia01 natural sciencesGeneral Biochemistry Genetics and Molecular BiologyPituitary thyroid axis03 medical and health scienceschemistry.chemical_compoundInternal medicinemedicinelcsh:QH301-705.50105 earth and related environmental sciences35-diiodo-L-thyronine; TSH; Thyroid hormone; Hepatic steatosisBiochemistry Genetics and Molecular Biology (all)TriiodothyronineTSHCholesterolBiochemistry (medical)medicine.diseaseSettore CHIM/08 - Chimica Farmaceutica35-diiodo-L-thyronineThyroid hormone030104 developmental biologyEndocrinologylcsh:Biology (General)chemistryThyronineSettore BIO/14 - FarmacologiaAlkaline phosphataseSteatosisHormoneJournal of Biological Research - Bollettino della Società Italiana di Biologia Sperimentale
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The Sea Urchin sns5 Chromatin Insulator Shapes the Chromatin Architecture of a Lentivirus Vector Integrated in the Mammalian Genome.

2016

Lentivirus vectors are presently the favorite vehicles for therapeutic gene transfer in hematopoietic cells. Nonetheless, these vectors integrate randomly throughout the genome, exhibiting variegation of transgene expression due to the spreading of heterochromatin into the vector sequences. Moreover, the cis-regulatory elements harbored by the vector could disturb the proper transcription of resident genes neighboring the integration site. The incorporation of chromatin insulators in flanking position to the transferred unit can alleviate both the above-mentioned dangerous effects, due to the insulator-specific barrier and enhancer-blocking activities. In this study, we report the valuable …

0301 basic medicineHeterochromatinTransgeneGenetic VectorsGreen Fluorescent ProteinsPharmaceutical ScienceGene ExpressionSettore BIO/11 - Biologia MolecolareBiochemistryGenomelentiviru03 medical and health sciencesMiceGeneticTranscription (biology)Genes ReporterTransduction GeneticCell Line TumorDrug DiscoveryGeneticsLeukocytesAnimalsHumansGATA1 Transcription FactorTransgenesEnhancerMolecular BiologyGenechromatin structureGeneticsGenomechromatin insulatorbiologyLentivirusbiology.organism_classificationgene therapyChromatinChromatinCell biology030104 developmental biologyHEK293 CellsSea UrchinsLentivirusMolecular MedicineBiological AssayInsulator Elementstransgene expressionHeLa CellsNucleic acid therapeutics
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Pharmaceutical Approaches to Target Antibiotic Resistance Mechanisms

2017

There is urgent need for new therapeutic strategies to fight the global threat of antibiotic resistance. The focus of this Perspective is on chemical agents that target the most common mechanisms of antibiotic resistance such as enzymatic inactivation of antibiotics, changes in cell permeability, and induction/activation of efflux pumps. Here we assess the current landscape and challenges in the treatment of antibiotic resistance mechanisms at both bacterial cell and community levels. We also discuss the potential clinical application of chemical inhibitors of antibiotic resistance mechanisms as add-on treatments for serious drug-resistant infections. Enzymatic inhibitors, such as the deriv…

0301 basic medicineImipenemmedicine.drug_classAvibactam030106 microbiologyAntibioticsDrug resistancePharmacologyBiologySettore BIO/19 - Microbiologia Generalemedicine.disease_causeMicrobiology03 medical and health scienceschemistry.chemical_compoundAntibiotic resistanceDrug DiscoverymedicineHumansPseudomonas InfectionsBeta-Lactamase InhibitorsPseudomonas aeruginosaDrug Discovery3003 Pharmaceutical ScienceEnterobacteriaceae InfectionsDrug Resistance MicrobialSettore CHIM/08 - Chimica FarmaceuticaImipenemchemistryMolecular Medicine; Drug Discovery3003 Pharmaceutical ScienceMolecular MedicineEffluxbeta-Lactamase InhibitorsAzabicyclo Compoundsmedicine.drugJournal of Medicinal Chemistry
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Identification of biological targets through the correlation between cell line chemosensitivity and protein expression pattern.

2021

Matching biological data sequences is one of the most interesting ways to discover new bioactive compounds. In particular, matching cell chemosensitivity with a protein expression profile can be a useful approach to predict the activity of compounds against definite biological targets. In this review, we discuss this correlation. First, we analyze case studies in which some known drugs, acting on known targets, show a good correlation between their antiproliferative activities and protein expression when a large panel of tumor cells is considered. Then, we highlight how the application of in silico methods based on the correlation between cell line chemosensitivity and gene/protein expressi…

0301 basic medicineIn silicoCellAntineoplastic AgentsComputational biologyBiologyCorrelationNCI-60 cell lines panel03 medical and health sciences0302 clinical medicineCell Line TumorNeoplasmsDrug DiscoverymedicineHumansComputer SimulationMolecular Targeted TherapyChemosensitivityGeneBiological target; Chemosensitivity; NCI-60 cell lines panel; Protein expression patternPharmacologyBiological dataBiological activitySettore CHIM/08 - Chimica FarmaceuticaBiological target Chemosensitivity NCI-60 cell lines panel Protein expression patternGene Expression Regulation Neoplastic030104 developmental biologymedicine.anatomical_structureCell cultureBiological targetBiological target030220 oncology & carcinogenesisProtein expression patternDrug discovery today
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