Search results for "Computer Science Application"

showing 10 items of 3998 documents

Broadband Internet Access via Multi-Hop Wireless Mesh Networks: Design, Protocol and Experiments

2010

Published version of an article from the journal: Wireless Personal Communications. The original publication is available at Spingerlink. http://dx.doi.org/10.1007/s11277-009-9907-9 While bandwidth for Internet access in urban areas is steadily increasing in recent years, many rural areas are still suffering from the effect of the digital divide. This paper presents a broadband Internet access paradigm developed in the context of the ADHOCSYS project, which was financed by the European Commission under the 6th Framework Program Information and Society Technologies, within the strategic objective of Broadband for All. Aiming at providing reliable Internet access in rural and mountainous regi…

Routing protocolbusiness.product_categoryBroadband networksComputer scienceMesh networkingHop (networking)law.inventionlawVDP::Technology: 500::Information and communication technology: 550::Telecommunication: 552BroadbandInternet accessWi-FiElectrical and Electronic EngineeringVDP::Mathematics and natural science: 400::Information and communication science: 420::Communication and distributed systems: 423Network architectureWireless mesh networkbusiness.industryWireless networkQuality of serviceWireless WANOrder One Network ProtocolComputer Science ApplicationsInternet Connection SharingDigital subscriber lineNetwork access pointHazy Sighted Link State Routing ProtocolRural areabusinessTelecommunicationsMunicipal wireless networkComputer network
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In Silico Design of New Dual Inhibitors of SARS-CoV-2 MPRO through Ligand- and Structure-Based Methods

2023

The viral main protease is one of the most attractive targets among all key enzymes involved in the life cycle of SARS-CoV-2. Considering its mechanism of action, both the catalytic and dimerization regions could represent crucial sites for modulating its activity. Dual-binding the SARS-CoV-2 main protease inhibitors could arrest the replication process of the virus by simultaneously preventing dimerization and proteolytic activity. To this aim, in the present work, we identified two series’ of small molecules with a significant affinity for SARS-CoV-2 MPRO, by a hybrid virtual screening protocol, combining ligand- and structure-based approaches with multivariate statistical analysis. The B…

SARS-CoV-2 MPROOrganic Chemistrycatalytic site; allosteric site; SARS-CoV-2 M<sup>PRO</sup>; inhibitors; benzo[<i>b</i>]thiophene; benzo[<i>b</i>]furan; dual binding site activitiesGeneral Medicinecatalytic siteSettore CHIM/08 - Chimica FarmaceuticaCatalysisComputer Science ApplicationsInorganic Chemistrybenzo[b]furaninhibitorsbenzo[b]thiophenedual binding site activitiesallosteric sitePhysical and Theoretical ChemistryMolecular BiologySpectroscopyInternational Journal of Molecular Sciences
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Health app policy:international comparison of nine countries' approaches

2022

An abundant and growing supply of digital health applications (apps) exists in the commercial tech-sector, which can be bewildering for clinicians, patients, and payers. A growing challenge for the health care system is therefore to facilitate the identification of safe and effective apps for health care practitioners and patients to generate the most health benefit as well as guide payer coverage decisions. Nearly all developed countries are attempting to define policy frameworks to improve decision-making, patient care, and health outcomes in this context. This study compares the national policy approaches currently in development/use for health apps in nine countries. We used secondary d…

SDG 3 - Good Health and Well-beingHealth Information ManagementVDP::Samfunnsvitenskap: 200Medicine (miscellaneous)International ComparisonHealth Informatics:Medicine [Science]VDP::Samfunnsvitenskap: 200::Biblioteks- og informasjonsvitenskap: 320::Informasjons- og kommunikasjonssystemer: 321Computer Science ApplicationsHealthcare Systems
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Protective, antioxidant and antiproliferative activity of grapefruit integropectin on sh-sy5y cells

2021

Tested in vitro on SH-SY5Y neuroblastoma cells, grapefruit IntegroPectin is a powerful protective, antioxidant and antiproliferative agent. The strong antioxidant properties of this new citrus pectin, and its ability to preserve mitochondrial membrane potential and morphology, severely impaired in neurodegenerative disorders, make it an attractive therapeutic and preventive agent for the treatment of oxidative stress-associated brain disorders. Similarly, the ability of this pectic polymer rich in RG-I regions, as well as in naringin, linalool, linalool oxide and limonene adsorbed at the outer surface, to inhibit cell proliferation or even kill, at high doses, neoplastic cells may have open…

SH-SY5YAntioxidantCell SurvivalQH301-705.5medicine.medical_treatmentMitochondrionPharmacologymedicine.disease_causeanticancerNeuroprotectionSettore BIO/09 - FisiologiaAntioxidantsArticleCatalysisInorganic ChemistryNeuroblastomachemistry.chemical_compoundX-Ray DiffractionCell Line Tumorhydrodynamic cavitationmedicineHumansoxidative stressPhysical and Theoretical ChemistryBiology (General)neurological diseaseMolecular BiologyNaringinQD1-999SpectroscopyCell ProliferationantitumorMembrane Potential MitochondrialpectinCell growthChemistryOrganic ChemistryneurodegenerationGeneral MedicinephytochemicalsIn vitroComputer Science ApplicationsmitochondriaChemistryNeuroprotective AgentsPectinscell cycleOxidative stressCitrus paradisi
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Selective Inhibition of STAT3 with Respect to STAT1: Insights from Molecular Dynamics and Ensemble Docking Simulations

2016

STAT3 protein, which is known to be involved in cancer development, is a promising target for anticancer therapy. Successful inhibitors of STAT3 should not affect an activity of closely related protein STAT1, which makes their development challenging. The mechanisms of selectivity of several existing STAT3 inhibitors are not clear. In this work, we studied molecular mechanisms of selectivity of 13 experimentally tested STAT3 inhibitors by means of extensive molecular dynamics and ensemble docking simulations. It is shown that all studied inhibitors bind to the large part of the protein surface in an unspecific statistical manner. The binding to the dimerization interface of the SH2 domain, …

STAT3 Transcription Factor0301 basic medicine[ SDV.BBM.BP ] Life Sciences [q-bio]/Biochemistry Molecular Biology/BiophysicsStereochemistryGeneral Chemical Engineering[SDV.CAN]Life Sciences [q-bio]/CancerMolecular Dynamics SimulationLibrary and Information SciencesBiologySelective inhibitionSH2 domain01 natural sciencesMolecular Docking SimulationSubstrate Specificity[ SDV.CAN ] Life Sciences [q-bio]/Cancersrc Homology Domains03 medical and health sciencesMolecular dynamics[SDV.SP.MED]Life Sciences [q-bio]/Pharmaceutical sciences/Medication[CHIM]Chemical SciencesSTAT1STAT3ComputingMilieux_MISCELLANEOUS010405 organic chemistry[ SDV.SP.MED ] Life Sciences [q-bio]/Pharmaceutical sciences/MedicationGeneral Chemistry0104 chemical sciences3. Good healthComputer Science ApplicationsMolecular Docking Simulation[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry Molecular Biology/BiophysicsSTAT1 Transcription Factor030104 developmental biologyDocking (molecular)Biophysicsbiology.proteinSelectivity
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Tumor-Derived Small Extracellular Vesicles Induce Pro-Inflammatory Cytokine Expression and PD-L1 Regulation in M0 Macrophages via IL-6/STAT3 and TLR4…

2021

Tumor-associated macrophages play a key role in promoting tumor progression by exerting an immunosuppressive phenotype associated with the expression of programmed cell death ligand 1 (PD-L1). It is well known that tumor-derived small extracellular vesicles (SEVs) affect the tumor microenvironment, influencing TAM behavior. The present study aimed to examine the effect of SEVs derived from colon cancer and multiple myeloma cells on macrophage functions. Non-polarized macrophages (M0) differentiated from THP-1 cells were co-cultured with SEVs derived from a colorectal cancer (CRC) cell line, SW480, and a multiple myeloma (MM) cell line, MM1.S. The expression of PD-L1, interleukin-6 (IL-6), a…

STAT3 Transcription FactorPD-L1QH301-705.5colorectal cancersmall extracellular vesiclesB7-H1 AntigenArticleCatalysisStat3 Signaling PathwayProinflammatory cytokineM0 macrophageInorganic ChemistryExtracellular VesiclesSettore BIO/13 - Biologia ApplicataCell Line TumorPD-L1Tumor-Associated Macrophagessmall extracellular vesicleHumansMacrophageTLR4Biology (General)Physical and Theoretical ChemistryM0 macrophagesQD1-999Molecular BiologySpectroscopyInflammationTumor microenvironmentbiologyInterleukin-6ChemistryOrganic ChemistryGeneral MedicineComputer Science ApplicationsGene Expression Regulation NeoplasticToll-Like Receptor 4multiple myelomaChemistryCell cultureTumor progressionColonic Neoplasmsbiology.proteinCancer researchTLR4Signal TransductionInternational Journal of Molecular Sciences
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Nitric Oxide-Releasing Drug Glyceryl Trinitrate Targets JAK2/STAT3 Signaling, Migration and Invasion of Triple-Negative Breast Cancer Cells

2021

Triple-negative breast cancer (TNBC) is a highly aggressive disease with invasive and metastasizing properties associated with a poor prognosis. The STAT3 signaling pathway has shown a pivotal role in cancer cell migration, invasion, metastasis and drug resistance of TNBC cells. IL-6 is a main upstream activator of the JAK2/STAT3 pathway. In the present study we examined the impact of the NO-donor glyceryl trinitrate (GTN) on the activation of the JAK2/STAT3 signaling pathway and subsequent migration, invasion and metastasis ability of TNBC cells through in vitro and in vivo experiments. We used a subtoxic dose of carboplatin and/or recombinant IL-6 to activate the JAK2/STAT3 signaling path…

STAT3 Transcription FactorQH301-705.5Triple Negative Breast NeoplasmsmigrationArticleCatalysisStat3 Signaling PathwayMetastasisInorganic ChemistryMiceNitroglycerinchemistry.chemical_compoundCell Movementnitric oxideIn vivoCell Line TumormedicineAnimalsHumanscancermetastasisNeoplasm InvasivenessNitric Oxide DonorsBiology (General)Physical and Theoretical ChemistrySTAT3QD1-999Molecular BiologySpectroscopyTriple-negative breast cancerMice Inbred BALB CbiologyActivator (genetics)Organic ChemistryCancerGeneral MedicineJanus Kinase 2invasionmedicine.diseaseCarboplatinComputer Science ApplicationsChemistrychemistrybiology.proteinCancer researchFemalesignalingSignal TransductionInternational Journal of Molecular Sciences
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A modal approach for the evaluation of the response sensitivity of structural systems subjected to non-stationary random processes

2005

A method for the evaluation of the response sensitivity of both classically and non-classically damped discrete linear structural systems under stochastic actions is presented. The proposed approach requires the following items: (a) a suitable modal expansion of the response; (b) the derivation in analytical form of the equations governing the evolution of the derivatives of the response (the so-called sensitivity equations) with respect to the parameters that define the structural model; (c) an extensive use of the Kronecker algebra for determining the analytical expressions of the sensitivity of the structural response statistics to non-stationary random input processes. Moreover, a step-…

STOCHASTIC SENSITIVITYProcess (engineering)Modal analysisModal analysisStructural systemStochastic responseComputational MechanicsGeneral Physics and Astronomysymbols.namesakeSensitivityControl theoryKronecker deltaApplied mathematicsSensitivity (control systems)DESIGN SENSITIVITYMathematicsCross-correlationStochastic processMechanical EngineeringSensitivity; Modal analysis; Stochastic response; Non stationary processNon stationary processComputer Science ApplicationsSettore ICAR/09 - Tecnica Delle CostruzioniModalMechanics of MaterialsMECHANICSsymbolsSettore ICAR/08 - Scienza Delle CostruzioniDYNAMIC-SYSTEMSComputer Methods in Applied Mechanics and Engineering
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A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation

2005

This paper describes the use of the multivariate statistical procedure principal component analysis as a tool to explore the inhibitory activity of classes of protease inhibitors (PIs) against HIV-1 viruses (wild type and more-frequent single mutants, V82A, V82F, and I84V) and against protease enzymes. The analysis of correlations between biological activity and molecular descriptors or similarity indexes allowed a reliable classification of the 51 derivatives considered in this study. The best results were obtained in the case of the I84V mutant for which a high number of predictions was achieved. On this basis, this statistical approach is proposed as a reliable method for the prediction …

STRUCTURE-BASED DESIGNMultivariate analysisGeneral Chemical Engineeringmedicine.medical_treatmentMutantComputational biologyLibrary and Information SciencesModels BiologicalStructure-Activity RelationshipHIV-1 proteaseMolecular descriptorDrug Resistance ViralmedicineHIV Protease InhibitorBIOLOGICAL EVALUATIONGeneticschemistry.chemical_classificationProteasebiologyWild typeBiological activityANTIVIRAL ACTIVITYGeneral ChemistryHIV Protease InhibitorsGeneral MedicineD-AMINO ACIDSIN-VITROComputer Science ApplicationsORALLY BIOAVAILABLE INHIBITOREnzymechemistryRAY CRYSTAL-STRUCTUREMultivariate AnalysisMutationHUMAN-IMMUNODEFICIENCY-VIRUSHIV-1biology.proteinTYPE-1 PROTEASEQUANTITATIVE STRUCTURESoftware
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A general strategy to determine the congruence between a hierarchical and a non-hierarchical classification

2007

This article is available from: http://www.biomedcentral.com/1471-2105/8/442

Saccharomyces cerevisiae ProteinsComputer scienceDecision treecomputer.software_genrelcsh:Computer applications to medicine. Medical informaticsInteractomeBiochemistryPattern Recognition AutomatedMitochondrial ProteinsUser-Computer InterfaceSimilarity (network science)Structural BiologyArtificial IntelligenceSequence Analysis ProteinProtein Interaction MappingCluster AnalysisDatabases Proteinlcsh:QH301-705.5Molecular BiologyOligonucleotide Array Sequence AnalysisApplied MathematicsMethodology ArticleDendrogramDecision TreesReproducibility of ResultsClassificationPartition (database)Computer Science ApplicationsTree (data structure)Rankinglcsh:Biology (General)Pattern recognition (psychology)lcsh:R858-859.7Data miningcomputerBiological networkBMC Bioinformatics
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