Search results for "NIST"

showing 10 items of 13738 documents

Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning.

2021

Coronavirus disease 2019 (COVID-19) is a major threat worldwide due to its fast spreading. As yet, there are no established drugs available. Speeding up drug discovery is urgently required. We applied a workflow of combined in silico methods (virtual drug screening, molecular docking and supervised machine learning algorithms) to identify novel drug candidates against COVID-19. We constructed chemical libraries consisting of FDA-approved drugs for drug repositioning and of natural compound datasets from literature mining and the ZINC database to select compounds interacting with SARS-CoV-2 target proteins (spike protein, nucleocapsid protein, and 2′-o-ribose methyltransferase). Supported by…

0301 basic medicineSimeprevirArtificial intelligencevirusesMERS Middle East Respiratory SyndromeHealth InformaticsBiologyMachine learningcomputer.software_genremedicine.disease_causeAntiviral AgentsArticleWHO World Health OrganizationAUC area under the curve03 medical and health sciences0302 clinical medicinessRNA single-stranded RNA virusmedicineChemotherapyHumansSARS severe acute respiratory syndromeCOVID-19 coronavirus disease 2019CoronavirusNatural productsVirtual screeningACE2 angiotensin converting enzyme 2Drug discoverybusiness.industrySARS-CoV-2COVID-19LBE lowest binding energyFDA Food and Drug AdministrationROC receiver operating characteristicComputer Science ApplicationsHIV human immunodeficiency virusMolecular Docking SimulationDrug repositioning030104 developmental biologyDrug developmentSevere acute respiratory syndrome-related coronavirusParitaprevirInfectious diseasesRespiratory virusArtificial intelligenceSupervised Machine Learningbusinesscomputer030217 neurology & neurosurgeryComputers in biology and medicine
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Solid nanoemulsion as antigen and immunopotentiator carrier for transcutaneous immunization

2015

Imiquimod, a toll-like receptor 7 (TLR7) agonist, is an active pharmaceutical ingredient (API) established for the topical treatment of several dermal cancerous and precancerous skin lesions. Within this work, the immunostimulatory effect of imiquimod is further exploited in a transcutaneous immunization (TCI) approach based on a solid nanoemulsion (SN) formulation. SN contains a combination of imiquimod with the model peptide antigen SIINFEKL as a novel approach to omit needle and syringe and optimize dermal antigen administration. Excipients including sucrose fatty acid esters and the pharmaceutically acceptable oils MCT (middle chain triglycerides), avocado oil, jojoba wax and squalene a…

0301 basic medicineSkin NeoplasmsChemistry PharmaceuticalImmunologyAntineoplastic AgentsImiquimodImmunopotentiatorBiologyAdministration Cutaneous030226 pharmacology & pharmacyMice03 medical and health sciencesFreeze-dryingSqualenechemistry.chemical_compoundDrug Delivery Systems0302 clinical medicineAdjuvants ImmunologicAntigenIn vivomedicineAnimalsHumansActive ingredientImiquimodChromatographyVaccinationPermeationNanostructuresMice Inbred C57BL030104 developmental biologychemistryLangerhans CellsImmunologyAminoquinolinesImmunizationOilsPrecancerous Conditionsmedicine.drugCellular Immunology
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Transcutaneous immunization with a novel imiquimod nanoemulsion induces superior T cell responses and virus protection

2017

Abstract Background Transcutaneous immunization (TCI) is a novel vaccination strategy utilizing the skin associated lymphatic tissue to induce immune responses. TCI using a cytotoxic T lymphocyte (CTL) epitope and the Toll-like receptor 7 (TLR7) agonist imiquimod mounts strong CTL responses by activation and maturation of skin-derived dendritic cells (DCs) and their migration to lymph nodes. However, TCI based on the commercial formulation Aldara only induces transient CTL responses that needs further improvement for the induction of durable therapeutic immune responses. Objective Therefore we aimed to develop a novel imiquimod solid nanoemulsion (IMI-Sol) for TCI with superior vaccination …

0301 basic medicineSkin NeoplasmsT cellImiquimodDermatologyLymphocytic ChoriomeningitisAdministration CutaneousBiochemistryEpitopeMajor Histocompatibility ComplexEpitopesMice03 medical and health sciences0302 clinical medicineImmune systemCell MovementAnimalsHumansLymphocytic choriomeningitis virusMedicineCytotoxic T cellMolecular BiologySkinMice KnockoutImiquimodMembrane Glycoproteinsbusiness.industryVaccinationTLR7Flow CytometryMice Inbred C57BLDisease Models AnimalCTL*030104 developmental biologymedicine.anatomical_structureToll-Like Receptor 7Langerhans Cells030220 oncology & carcinogenesisMyeloid Differentiation Factor 88ImmunologyAminoquinolinesEmulsionsbusinessCD8Signal TransductionT-Lymphocytes Cytotoxicmedicine.drugJournal of Dermatological Science
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Corrigendum to “European contribution to the study of ROS: A summary of the findings and prospects for the future from the COST action BM1203 (EU-ROS…

2018

The European Cooperation in Science and Technology (COST) provides an ideal framework to establish multi-disciplinary research networks. COST Action BM1203 (EU-ROS) represents a consortium of researchers from different disciplines who are dedicated to providing new insights and tools for better understanding redox biology and medicine and, in the long run, to finding new therapeutic strategies to target dysregulated redox processes in various diseases. This report highlights the major achievements of EU-ROS as well as research updates and new perspectives arising from its members. The EU-ROS consortium comprised more than 140 active members who worked together for four years on the topics b…

0301 basic medicineSocieties ScientificRedox signalingInternational CooperationClinical BiochemistryNanotechnologyReview ArticleBiologyPublic administrationBiochemistryAntioxidantsArticle03 medical and health sciencesmedia_common.cataloged_instanceAnimalsHumansCost actionEuropean UnionEuropean unionMolecular Biologylcsh:QH301-705.5media_commonFunding AgencyRedox therapeuticslcsh:R5-920Organic ChemistryReactive nitrogen species030104 developmental biologyWork (electrical)lcsh:Biology (General)Oxidative stressReactive Oxygen Specieslcsh:Medicine (General)Oxidation-ReductionSignal TransductionRedox Biology
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Adherence to recommended intake of pulses and related factors in university students in the UniHcos project

2020

This study was supported by the National Drug Plan, Ministry of Health, Social Services and Equality of Spain (Grants: 2010|145 and 2013|034).

0301 basic medicineSociodemographic FactorsUniversitiesMedicine (miscellaneous)Social WelfareNutrition Policy03 medical and health sciences0302 clinical medicineEnvironmental healthMedicineHumans030212 general & internal medicineProspective StudiesStudentsPulsesNutritionRelated factors030109 nutrition & dieteticsNutrition and Dieteticsbusiness.industryFeeding BehaviorLegumesDietUniversity studentsCross-Sectional StudiesDiet qualitySpainMedicina Preventiva y Salud PúblicaChristian ministrybusinessEdible GrainDiet qualityRecommended Intake
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Sorafenib plus topotecan versus placebo plus topotecan for platinum-resistant ovarian cancer (TRIAS): a multicentre, randomised, double-blind, placeb…

2018

Summary Background Antiangiogenic therapy has known activity in ovarian cancer. The investigator-initiated randomised phase 2 TRIAS trial assessed the multi-kinase inhibitor sorafenib combined with topotecan and continued as maintenance therapy for platinum-resistant or platinum-refractory ovarian cancer. Methods We did a multicentre, double-blind, placebo-controlled, randomised, phase 2 trial at 20 sites in Germany. Patients (≥18 years) with platinum-resistant ovarian cancer previously treated with two or fewer chemotherapy lines for recurrent disease were stratified (first vs later relapse) in block sizes of four and randomly assigned (1:1) using a web-generated response system to topotec…

0301 basic medicineSorafenibAdultmedicine.medical_specialtyTime FactorsPerforation (oil well)Angiogenesis InhibitorsPlatinum CompoundsNeutropeniaPlaceboGastroenterologyDrug Administration Schedule03 medical and health sciences0302 clinical medicineMaintenance therapyDouble-Blind MethodInternal medicineGermanyAntineoplastic Combined Chemotherapy ProtocolsmedicineClinical endpointHumansProgression-free survivalProtein Kinase InhibitorsAgedOvarian Neoplasmsbusiness.industryMiddle AgedSorafenibmedicine.diseaseProgression-Free Survival030104 developmental biologyOncologyDrug Resistance Neoplasm030220 oncology & carcinogenesisDisease ProgressionTopotecanFemaleTopoisomerase I InhibitorsbusinessTopotecanmedicine.drugThe Lancet. Oncology
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Glucagon-Like Peptide 1 and Taste Perception: From Molecular Mechanisms to Potential Clinical Implications

2021

Preclinical studies provided some important insights into the action of glucagon-like peptide 1 (GLP-1) in taste perception. This review examines the literature to uncover some molecular mechanisms and connections between GLP-1 and the gustatory coding. Local GLP-1 production in the taste bud cells, the expression of GLP-1 receptor on the adjacent nerves, a functional continuum in the perception of sweet chemicals from the gut to the tongue and an identification of GLP-1 induced signaling pathways in peripheral and central gustatory coding all strongly suggest that GLP-1 is involved in the taste perception, especially sweet. However, the impact of GLP-1 based therapies on gustatory coding i…

0301 basic medicineTasteendocrine systemobesitymedia_common.quotation_subject030209 endocrinology & metabolismReviewBiologyCatalysisGlucagon-Like Peptide-1 Receptorlcsh:ChemistryInorganic Chemistrytaste03 medical and health sciences0302 clinical medicineTreatment targetsTonguetongueGlucagon-Like Peptide 1PerceptionmedicineAnimalsHumansGLP-1 Sweet Taste Tongue Animals Glucagon-Like Peptide-1 Receptor Humans Obesity Signal Transduction Taste Taste Buds Taste PerceptionPhysical and Theoretical ChemistryReceptorTaste Bud Cellslcsh:QH301-705.5Molecular BiologySpectroscopymedia_commonOrganic Chemistrydigestive oral and skin physiologyTaste PerceptionGeneral MedicineTaste BudsGlucagon-like peptide-1Computer Science Applications030104 developmental biologymedicine.anatomical_structurelcsh:Biology (General)lcsh:QD1-999Signal transductionGLP-1Neurosciencesweethormones hormone substitutes and hormone antagonistsSignal TransductionInternational Journal of Molecular Sciences
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Biomolecular computers with multiple restriction enzymes

2017

Abstract The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann “bottleneck”. Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro’s group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules) as software and input/output signals. This computer represented a two-state two-symbol finite automaton t…

0301 basic medicineTheoretical computer scienceDNA computerlcsh:QH426-4700102 computer and information sciencesBiology01 natural scienceslaw.inventionrestriction enzymesGenomics and Bioinformatics03 medical and health sciencessymbols.namesakeSoftwareDNA computinglawGeneticsNondeterministic finite automatonMolecular BiologyQuantum computerFinite-state machinebusiness.industryConstruct (python library)bioinformaticsDNARestriction enzymelcsh:Genetics030104 developmental biology010201 computation theory & mathematicssymbolsbusinessVon Neumann architectureGenetics and Molecular Biology
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Yeast thioredoxin reductase Trr1p controls TORC1-regulated processes

2018

The thioredoxin system plays a predominant role in the control of cellular redox status. Thioredoxin reductase fuels the system with reducing power in the form of NADPH. The TORC1 complex promotes growth and protein synthesis when nutrients, particularly amino acids, are abundant. It also represses catabolic processes, like autophagy, which are activated during starvation. We analyzed the impact of yeast cytosolic thioredoxin reductase TRR1 deletion under different environmental conditions. It shortens chronological life span and reduces growth in grape juice fermentation. TRR1 deletion has a global impact on metabolism during fermentation. As expected, it reduces oxidative stress tolerance…

0301 basic medicineThioredoxin Reductase 1Estrès oxidatiuThioredoxin reductaseScienceMicrobiologiaMechanistic Target of Rapamycin Complex 1Grape Juice FermentationArticleAntioxidants03 medical and health scienceschemistry.chemical_compoundTORC1 PathwayYeastsAmino AcidsMultidisciplinary030102 biochemistry & molecular biologyKinaseAutophagyChronological Life SpanQFungal geneticsRGlutathioneMetabolismTORC1 ComplexThioredoxin SystemYeastCell biology030104 developmental biologychemistryMedicineThioredoxinGene DeletionSignal TransductionScientific Reports
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Long-term genomic coevolution of host-parasite interaction in the natural environment

2017

Antagonistic coevolution of parasite infectivity and host resistance may alter the biological functionality of species, yet these dynamics in nature are still poorly understood. Here we show the molecular details of a long-term phage–bacterium arms race in the environment. Bacteria (Flavobacterium columnare) are generally resistant to phages from the past and susceptible to phages isolated in years after bacterial isolation. Bacterial resistance selects for increased phage infectivity and host range, which is also associated with expansion of phage genome size. We identified two CRISPR loci in the bacterial host: a type II-C locus and a type VI-B locus. While maintaining a core set of conse…

0301 basic medicineTime Factorsmedicine.medical_treatmentvirusesGeneral Physics and AstronomyGenomeCRISPR SpacersbakteeritBacteriophageEnvironmental MicrobiologyCRISPRBacteriophagesClustered Regularly Interspaced Short Palindromic RepeatsANTAGONISTIC COEVOLUTIONADAPTATIONbacteriaInfectivityGenetics0303 health scienceseducation.field_of_studyMultidisciplinaryQgenomiikkaBACTERIOPHAGE RESISTANCE MECHANISMSresistance (medicine)bacteriophagesPhage therapyScienceAntagonistic Coevolution030106 microbiologyPopulationevoluutioVirulencePHAGELocus (genetics)Genome ViralBiologyFlavobacteriumArticlebakteriofagitGeneral Biochemistry Genetics and Molecular BiologyHost-Parasite InteractionsEvolution Molecular03 medical and health sciencesCRISPR-CAS SYSTEMSFISHevolutionmedicinegenomicseducationGenome size1172 Environmental sciences030304 developmental biology030306 microbiologyGeneral Chemistrybiology.organism_classificationEVOLUTIONresistenssiPATHOGEN FLAVOBACTERIUM-COLUMNARE030104 developmental biologyMutationCRISPR LociVIRULENCEIMMUNE-SYSTEMGenome BacterialNature Communications
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