Search results for "antiviral agent"

showing 10 items of 505 documents

A potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemic.

2021

Since 2020, the world is facing the first global pandemic of 21st century. Among all the solutions proposed to treat this new strain of coronavirus, named SARS-CoV-2, the vaccine seems a promising way but the delays are too long to be implemented quickly. In the emergency, a dual therapy has shown its effectiveness but has also provoked a set of debates around the dangerousness of a particular molecule, hydroxychloroquine. In particular, the doses to be delivered, according to the studies, were well beyond the acceptable doses to support the treatment without side effects. We propose here to use all the advantages of nanovectorization to address this question of concentration. Using quantum…

Protein Conformation alpha-HelicalComputer science02 engineering and technologyAzithromycinDrug Delivery SystemsPandemicMaterials ChemistryDrug Dosage CalculationsSpectroscopymedia_common0303 health sciencesEvent (computing)021001 nanoscience & nanotechnologyComputer Graphics and Computer-Aided DesignMolecular Docking SimulationNanomedicineRisk analysis (engineering)Spike Glycoprotein CoronavirusDensity functional theory calculationsNanomedicineThermodynamicsNitrogen OxidesAngiotensin-Converting Enzyme 20210 nano-technologyHydroxychloroquineProtein BindingDrugBoron CompoundsCoronavirus disease 2019 (COVID-19)media_common.quotation_subjectSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Molecular Dynamics SimulationAntiviral AgentsArticle03 medical and health sciencesHumansProtein Interaction Domains and MotifsDual therapyPhysical and Theoretical Chemistry030304 developmental biologyDrug transportBinding SitesSARS-CoV-2Molecular dynamics simulationsCOVID-19NanostructuresCOVID-19 Drug TreatmentKineticsQuantum TheoryProtein Conformation beta-StrandNanovectorizationJournal of molecular graphicsmodelling
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Targeting SARS-CoV-2 RBD Interface: a Supervised Computational Data-Driven Approach to Identify Potential Modulators

2020

Coronavirus disease 2019 (COVID-19) has spread out as a pandemic threat affecting over 2 million people. The infectious process initiates via binding of SARS-CoV-2 Spike (S) glycoprotein to host angiotensin-converting enzyme 2 (ACE2). The interaction is mediated by the receptor-binding domain (RBD) of S glycoprotein, promoting host receptor recognition and binding to ACE2 peptidase domain (PD), thus representing a promising target for therapeutic intervention. Herein, we present a computational study aimed at identifying small molecules potentially able to target RBD. Although targeting PPI remains a challenge in drug discovery, our investigation highlights that interaction between SARS-CoV…

Protein domainPneumonia ViralDruggabilityDrug Evaluation Preclinicalprotein-protein interactionsComputational biologyBiologyMolecular Dynamics SimulationPeptidyl-Dipeptidase AMolecular dynamics01 natural sciencesBiochemistryMolecular Docking SimulationAntiviral Agentsdockingmolecular dynamicProtein–protein interactionSmall Molecule LibrariesBetacoronavirusProtein DomainsDrug DiscoveryHumansGeneral Pharmacology Toxicology and PharmaceuticsPandemicsPharmacologyFull Paperpharmacophore010405 organic chemistryDrug discoverySARS-CoV-2Organic ChemistryCOVID-19Small molecule0104 chemical sciencesProtein-Protein InteractionMolecular Docking Simulation010404 medicinal & biomolecular chemistryDocking (molecular)Spike Glycoprotein CoronavirusdockingMolecular MedicineAngiotensin-Converting Enzyme 2PharmacophoreCoronavirus InfectionsProtein Binding
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Let's End HepC: modelling public health epidemiological policies applied to Hepatitis C in Spain

2022

Background: The WHO has defined international targets toward the elimination of hepatitis C by 2030. Most countries cannot be on track to achieve this goal unless many challenges are surpassed. The Let's End HepC (LEHC) tool aims to contribute to the control of hepatitis C. The innovation of this tool combines the modelling of public health policies (PHP) focused on hepatitis C with epidemiological modelling of the disease, obtaining a unique result that allows to forecast the impact of policy outcomes. The model was applied to several countries, including Spain.Methods: To address the stated objective, we applied the “Adaptive Conjoint Analysis” for PHP decision-making and Markov Chains in…

Public healthCONJOINT-ANALYSISPublic Health Environmental and Occupational HealthHCV INFECTIONHIVHealth literacyPublic PolicyHepacivirusVIRUS-INFECTIONAntiviral AgentsHepatitis CDISEASEModellingPREVALENCESpainPEOPLEHumansPublic aspects of medicineRA1-1270BURDENPublic health policiesOriginal Research
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In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADME…

2020

The new coronavirus SARS-CoV-2 virus is causing a severe pneumonia in human, provoking the serious outbreak epidemic CoV-2. Since its appearance in Wuhan, China on December 2019, CoV-2 becomes the biggest challenge the world is facing today, including the discovery of antiviral drug for SARS-CoV-2. In this study, the potential inhibitory of a class of human SARS inhibitors, namely pyridine N-oxide derivatives, against CoV-2 was addressed by quantitative structure-activity relationship 3 D-QSAR. The reliable CoMSIA developed model of 110 pyridine N-oxide based-antiviral compounds, showed Q

Quantitative structure–activity relationship2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)PyridinesvirusesIn silicoSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)030303 biophysicsQuantitative Structure-Activity Relationshipmedicine.disease_causeAntiviral Agents03 medical and health sciencesStructural BiologymedicineHumansProtease InhibitorsMolecular BiologyCoronavirus0303 health sciencesSARS-CoV-2ChemistryDrug discoveryCOVID-19virus diseasesGeneral Medicinerespiratory systembiochemical phenomena metabolism and nutritionVirologyrespiratory tract diseasesMolecular Docking SimulationJournal of Biomolecular Structure and Dynamics
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An Open-Label Trial of 12-Week Simeprevir plus Peginterferon/Ribavirin (PR) in Treatment-Naïve Patients with Hepatitis C Virus (HCV) Genotype 1 (GT1)

2016

Background: Shortening duration of peginterferon-based HCV treatment reduces associated burden for patients. Primary objectives of this study were to assess the efficacy against the minimally acceptable response rate 12 weeks post-treatment (SVR12) and safety of simeprevir plus PR in treatment-naïve HCV GT1 patients treated for 12 weeks. Additional objectives included the investigation of potential associations of rapid viral response and baseline factors with SVR12. Methods: In this Phase III, open-label study in treatment-naïve HCV GT1 patients with F0-F2 fibrosis, patients with HCV-RNA 12-week regimen. Conclusions: Overall SVR12 rate (66%) was below the target of 80%, indicating that sho…

RNA virusesMale0301 basic medicineSimeprevirDecision AnalysisPsychologie appliquéelcsh:MedicineHepacivirusmedicine.disease_causeTherapy naivechemistry.chemical_compoundMathematical and Statistical Techniques0302 clinical medicineRecurrenceSimeprevirlcsh:SciencePathology and laboratory medicineMultidisciplinaryHepatitis C virusPharmaceuticsHepatitis CMedical microbiologyViral LoadMiddle AgedSciences bio-médicales et agricolesPEGINTERFERON/RIBAVIRINHepatitis C3. Good healthTreatment OutcomeResearch DesignVirusesPhysical SciencesRegression AnalysisEngineering and TechnologyFemale030211 gastroenterology & hepatologyPathogensManagement EngineeringBiologieViral loadStatistics (Mathematics)HumanResearch ArticleAdultmedicine.medical_specialtyGenotypeClinical Research DesignHepatitis C virusResearch and Analysis MethodsMicrobiologyAntiviral AgentsYoung Adult03 medical and health sciencesDrug TherapyVirologyRibavirinmedicineHumansddc:610Statistical MethodsAgedAntiviral AgentMedicine and health sciencesHepaciviruFlavivirusesbusiness.industryRibavirinDecision Treeslcsh:ROrganismsViral pathogensBiology and Life Sciencesmedicine.diseaseFibrosisVirologyHepatitis virusesMicrobial pathogensClinical trial030104 developmental biologychemistryFamily medicineMultivariate Analysislcsh:QAdverse EventsbusinessMathematicsViral Transmission and InfectionDevelopmental BiologyPLOS ONE
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Evolution of patients’ socio-behavioral characteristics in the context of DAA: Results from the French ANRS CO13 HEPAVIH cohort of HIV-HCV co-infecte…

2018

International audience; BACKGROUND:Direct-acting antivirals (DAA) have dramatically increased HCV cure rates with minimal toxicity in HIV-HCV co-infected patients. This study aimed to compare the socio-behavioral characteristics of patients initiating pegylated-interferon (PEG-IFN)-based HCV treatment with those of patients initiating DAA-based treatment.METHODS:ANRS CO13 HEPAVIH is a national multicenter prospective cohort started in 2005, which enrolled 1,859 HIV-HCV co-infected patients followed up in French hospital outpatient units. Both clinical/biological and socio-behavioral data were collected during follow-up. We selected patients with socio-behavioral data available before HCV tr…

RNA virusesMaleHealth BehaviorSocial Scienceslcsh:MedicineHIV InfectionsHepacivirusGeographical locationsChronic Liver Disease0302 clinical medicineRisk FactorsPrevalencePsychologyAlcohol consumptionProspective Studies030212 general & internal medicineYoung adultProspective cohort studylcsh:SciencePathology and laboratory medicinemedia_commonChronic hepatitisDrug injectionClinical Trials as TopicMultidisciplinarybiologyPharmaceuticsCoinfectionHepatitis C virusLiver Diseasesvirus diseasesMedical microbiologyMiddle AgedPrognosisHepatitis CAddicts3. Good healthEuropeBehavioral PharmacologyDrug usersVirusesCohortFemale030211 gastroenterology & hepatologyDrug therapyFrancePathogensResearch ArticleAdultDrugmedicine.medical_specialtySubstance-Related Disordersmedia_common.quotation_subjectLiver fibrosisAddictionContext (language use)Gastroenterology and HepatologyMicrobiologyAntiviral AgentsYoung Adult03 medical and health sciencesPharmacotherapyRecreational Drug UseInternal medicinemedicineHumansEuropean UnionNutritionAgedCannabisMedicine and health sciencesPharmacologyBiology and life sciencesFlavivirusesbusiness.industrylcsh:ROrganismsViral pathogensHIVbiology.organism_classificationHepatitis virusesdigestive system diseasesMicrobial pathogensDiet[SDV.SPEE] Life Sciences [q-bio]/Santé publique et épidémiologielcsh:Q[SDV.SPEE]Life Sciences [q-bio]/Santé publique et épidémiologieCannabisPeople and placesbusiness
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Copper(II)-Binding Induces a Unique Polyproline Type II Helical Structure within the Ion-Binding Segment in the Intrinsically Disordered F-Domain of …

2019

Reproduction of the dominant vector of Zika and dengue diseases, Aedes aegypti mosquito, is controlled by an active heterodimer complex composed of the 20-hydroxyecdysone receptor (EcR) and ultraspiracle protein. Although A. aegypti EcR shares the structural and functional organization with other nuclear receptors, its C-terminus has an additional long F domain (AaFEcR). Recently, we showed that the full length AaFEcR is intrinsically disordered with the ability to specifically bind divalent metal ions. Here, we describe the details of the exhaustive structural and thermodynamic properties of Zn2+- and Cu2+-complexes with the AaFEcR domain, based on peptide models of its two putative metal …

Receptors SteroidStereochemistryPeptideAedes aegypti010402 general chemistryAntiviral Agents01 natural sciencesDengueInorganic ChemistryIon bindingAedesOrganometallic CompoundsAnimalsMoleculePhysical and Theoretical ChemistryReceptorPolyproline helixAedeschemistry.chemical_classificationBinding SitesMolecular StructurebiologyZika Virus Infection010405 organic chemistryChemistrybiology.organism_classification0104 chemical sciencesNuclear receptorThermodynamicsPeptidesCopperInorganic Chemistry
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Pegylated interferon α plus ribavirin for the treatment of chronic hepatitis C: A multicentre independent study supported by the Italian Drug Agency

2014

a b s t r a c t Background: Data on the efficacy of Peg-interferon/ribavirin therapy for chronic hepatitis C are mostly derived from treatment of selected patients enrolled in clinical trials. This study aimed to assess the effectiveness of Peg-interferon/ribavirin therapy in “real world” chronic hepatitis C patients in Italy. Methods: Independent observational multicentre study including consecutive patients receiving Peginterferon/ribavirin in the 18 months before (retrospective phase) and after (prospective phase) the start of the study. Results: 4176 patients were eligible. The final study population consisted of 2051 patients in the retrospective and 2073 in the prospective phase. Sust…

RegistrieMaleCirrhosismedicine.disease_causePolyethylene GlycolGastroenterologyPolyethylene Glycolschemistry.chemical_compoundHepatitis VirusesHepatitis ViruseProspective StudiesViralRegistriesChronicProspective cohort studyDrug CarrierDrug CarriersSettore MED/12 - GastroenterologiaMedicine (all)GastroenterologyRecombinant ProteinMiddle AgedHepatitis CRecombinant ProteinsTreatment OutcomeItalyCombinationRNA ViralPopulation studyDrug Therapy CombinationFemaleHumanmedicine.medical_specialtyGenotypeHepatitis C virusAlpha interferonRibavirin; Sustained virological response (SVR); TreatmentAntiviral AgentsFollow-Up StudieRibavirin; Sustained virological response (SVR); Treatment; Hepatology; GastroenterologyDrug TherapyInternal medicineRibavirinmedicineHumansAntiviral AgentHepatologybusiness.industryRibavirinInterferon-alphaHCV therapyHepatitis C ChronicHepatologymedicine.diseaseClinical trialTreatmentProspective StudiechemistryImmunologyRNARibavirin; Sustained virological response (SVR); Treatment; Antiviral Agents; Drug Carriers; Drug Therapy Combination; Female; Follow-Up Studies; Genotype; Hepatitis C Chronic; Hepatitis Viruses; Humans; Interferon-alpha; Italy; Male; Middle Aged; Polyethylene Glycols; Prospective Studies; RNA Viral; Recombinant Proteins; Ribavirin; Treatment Outcome; RegistriesbusinessRibavirin; Sustained virological response (SVR); Treatment; Antiviral Agents; Drug Carriers; Drug Therapy Combination; Female; Follow-Up Studies; Genotype; Hepatitis C Chronic; Hepatitis Viruses; Humans; Interferon-alpha; Italy; Male; Middle Aged; Polyethylene Glycols; Prospective Studies; RNA Viral; Recombinant Proteins; Ribavirin; Treatment Outcome; Registries; Gastroenterology; Hepatology; Medicine (all)Follow-Up StudiesSustained virological response (SVR)
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Inhibition of expression of natural UAG suppressor glutamine tRNA in HIV-infected human H9 cells in vitro by Avarol.

1988

HTLV-IIIB-infected H9 cells are shown to contain a high level of the natural UAG suppressor glutamine tRNA(UmUG Gln); this tRNA has been demonstrated to be required for the synthesis of Moloney murine leukemia virus (Mo-MuLV)-encoded protease. After cultivation of HTLV-IIIB-infected H9 cells with Avarol at a concentration (1 microgram/ml), previously found to protect the cells against the cytopathic effects of HTLV-III, an almost complete inhibition of the synthesis of the tRNA(UmUG Gln) was observed. Moreover, we obtained some evidence that the processing of the HTLV-III precursor protein p53 to p24 is inhibited by Avarol in infected cells, suggesting that the compound interferes with the …

ReticulocytesvirusesGlutamineImmunologyBiologyAntiviral AgentsViruslaw.inventionCell LineSuppression GeneticlawVirologyRNA Transfer GlnGene expressionAnimalsHumansCodonvirus diseasesHIVNucleic Acid HybridizationBiological activitybiochemical phenomena metabolism and nutritionRNA Transfer Amino Acid-SpecificCell Transformation ViralMolecular biologyIn vitroGlutamineTobacco Mosaic VirusInfectious DiseasesCell cultureProtein BiosynthesisTransfer RNASuppressorRNA ViralRabbitsSesquiterpenesAIDS research and human retroviruses
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Synthesis and pharmacological evaluation of several ring-contracted amantadine analogs

2008

Graphical abstract Several bisnoradamantylamines and noradamantylamines have been synthesized and their antiviral, trypanocidal, NMDA receptor antagonist, and dopamine reuptake inhibitory activities have been studied.

RimantadineStereochemistryDopamineeducationClinical BiochemistryPharmaceutical Sciencemacromolecular substancesPharmacologymedicine.disease_causeAntiviral AgentsReceptors N-Methyl-D-AspartateBiochemistryChemical synthesisArticleInhibitory Concentration 50DogsPolycyclic compoundMemantineTrypanosomiasisDopamineDrug DiscoveryAmantadinemedicineInfluenza A virusAnimalsNMDA receptor antagonistMolecular BiologyCells Culturedchemistry.chemical_classificationChemistryOrganic ChemistryAmantadinePolycyclic cage compoundsBiological activityInfluenzanervous systemInfluenza A virusMolecular MedicineNMDA receptormedicine.drugBioorganic & Medicinal Chemistry
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