Search results for "CoV"

showing 10 items of 9749 documents

Recent advances on CDK inhibitors: An insight by means of in silico methods

2017

The cyclin dependent kinases (CDKs) are a small family of serine/threonine protein kinases that can act as a potential therapeutic target in several proliferative diseases, including cancer. This short review is a survey on the more recent research progresses in the field achieved by using in silico methods. All the "armamentarium" available to the medicinal chemists (docking protocols and molecular dynamics, fragment-based, de novo design, virtual screening, and QSAR) has been employed to the discovery of new, potent, and selective inhibitors of cyclin dependent kinases. The results cited herein can be useful to understand the nature of the inhibitor-target interactions, and furnish an ins…

0301 basic medicineQuantitative structure–activity relationshipMolecular dynamicIn silicoCDKQuantitative Structure-Activity RelationshipAntineoplastic AgentsComputational biologyMolecular Dynamics SimulationBioinformatics01 natural sciencesSerine03 medical and health sciencesCyclin-dependent kinaseNeoplasmsDrug DiscoveryAnimalsHumansProtein Kinase InhibitorsPharmacologyVirtual screeningHVTSbiologyChemistryKinaseQSARDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryGeneral MedicineCyclin-Dependent Kinases0104 chemical sciencesMolecular Docking Simulation010404 medicinal & biomolecular chemistry030104 developmental biologyDocking (molecular)Drug Designbiology.proteinComputer-Aided DesignIn silico methodMolecular modelling
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Molecular topology: A new strategy for antimicrobial resistance control

2017

The control of antimicrobial resistance (AMR) seems to have come to an impasse. The use and abuse of antibacterial drugs has had major consequences on the genetic mutability of both pathogenic and nonpathogenic microorganisms, leading to the development of new highly resistant strains. Because of the complexity of this situation, an in silico strategy based on QSAR molecular topology was devised to identify synthetic molecules as antimicrobial agents not susceptible to one or several mechanisms of resistance such as: biofilms formation (BF), ionophore (IA) activity, epimerase (EI) activity or SOS system (RecA inhibition). After selecting a group of 19 compounds, five of them showed signific…

0301 basic medicineQuantitative structure–activity relationshipStaphylococcusIn silico030106 microbiologyMicrobial Sensitivity Testsmedicine.disease_causeMicrobiologyStructure-Activity Relationship03 medical and health sciencesAntibiotic resistanceDrug Resistance BacterialDrug DiscoveryEnterococcus faecalisEscherichia colimedicineEscherichia coliPharmacologyVirtual screeningDose-Response Relationship DrugMolecular StructureChemistryOrganic ChemistryBiofilmGeneral MedicineAntimicrobialAnti-Bacterial Agents030104 developmental biologyBiofilmsRegression AnalysisStaphylococcusEuropean Journal of Medicinal Chemistry
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Radial Glial Fibers Promote Neuronal Migration and Functional Recovery after Neonatal Brain Injury.

2018

Radial glia (RG) are embryonic neural stem cells (NSCs) that produce neuroblasts and provide fibers that act as a scaffold for neuroblast migration during embryonic development. Although they normally disappear soon after birth, here we found that RG fibers can persist in injured neonatal mouse brains and act as a scaffold for postnatal ventricular-subventricular zone (V-SVZ)-derived neuroblasts that migrate to the lesion site. This injury-induced maintenance of RG fibers has a limited time window during post-natal development and promotes directional saltatory movement of neuroblasts via N-cadherin-mediated cell-cell contacts that promote RhoA activation. Transplanting an N-cadherin-contai…

0301 basic medicineRHOAanimal structuresventricular-subventricular zoneBiology03 medical and health sciences0302 clinical medicinegait behaviorNeuroblastCell MovementNeuroblast migrationLateral VentriclesGeneticsmedicineAnimalsreproductive and urinary physiologyN-cadherinNeuronsneuronal migrationneuronal regenerationneonatal brain injuryCadherinEmbryogenesisfungiCell Biologypostnatal neurogenesisRecovery of FunctionCadherinsEmbryonic stem cellNeural stem cellRadial glial cell030104 developmental biologymedicine.anatomical_structurenervous systemAnimals NewbornBrain Injuriesbiology.proteinMolecular MedicinerhoA GTP-Binding ProteinNeuroscienceNeuroglia030217 neurology & neurosurgeryradial glial cellCell stem cell
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Transcription factor NRF2 as a therapeutic target for chronic diseases: a systems medicine approach

2018

Systems medicine has a mechanism-based rather than a symptom- or organ-based approach to disease and identifies therapeutic targets in a nonhypothesis-driven manner. In this work, we apply this to transcription factor nuclear factor (erythroid-derived 2)-like 2 (NRF2) by cross-validating its position in a protein-protein interaction network (the NRF2 interactome) functionally linked to cytoprotection in low-grade stress, chronic inflammation, metabolic alterations, and reactive oxygen species formation. Multiscale network analysis of these molecular profiles suggests alterations of NRF2 expression and activity as a common mechanism in a subnetwork of diseases (the NRF2 diseasome). This netw…

0301 basic medicineRMSystems AnalysisNF-E2-Related Factor 2MedicinaNF-KAPPA-BAnti-Inflammatory AgentsTYPE-2 DIABETES-MELLITUSGENE PROMOTER POLYMORPHISMDiseaseComputational biologyInteractomeenvironment and public healthGLYCOGEN-SYNTHASE KINASETUMOR-SUPPRESSOR PTENNRF203 medical and health sciencesDrug DiscoveryAnimalsHumansTherapeutic targetsMedicineMolecular Targeted TherapyBardoxolone methylPLACEBO-CONTROLLED PHASE-3PharmacologyMechanism (biology)Drug discoverybusiness.industryDrug RepositioningRChronic inflammationrespiratory systemHEME OXYGENASE 1PROTEIN-PROTEIN INTERACTION3. Good healthSystems medicineDrug repositioning030104 developmental biologyDrug developmentEXPERIMENTAL AUTOIMMUNE ENCEPHALOMYELITISChronic DiseaseSystems medicineMolecular MedicineFUMARIC-ACID ESTERSbusiness
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The Good and Bad of Nrf2: An Update in Cancer and New Perspectives in COVID-19

2021

Nuclear factor erythroid 2-related factor 2 (Nrf2) is a well-known transcription factor best recognised as one of the main regulators of the oxidative stress response. Beyond playing a crucial role in cell defence by transactivating cytoprotective genes encoding antioxidant and detoxifying enzymes, Nrf2 is also implicated in a wide network regulating anti-inflammatory response and metabolic reprogramming. Such a broad spectrum of actions renders the factor a key regulator of cell fate and a strategic player in the control of cell transformation and response to viral infections. The Nrf2 protective roles in normal cells account for its anti-tumour and anti-viral functions. However, Nrf2 over…

0301 basic medicineRegulatorAnti-Inflammatory AgentsDiseaseReviewenvironment and public healthNF-κBAntioxidantschemistry.chemical_compound0302 clinical medicineSettore BIO/10 - BiochimicaNeoplasmsoxidative stressBiology (General)SpectroscopyGeneral Medicinerespiratory systemComputer Science ApplicationsChemistrycell death030220 oncology & carcinogenesisSignal transductionSignal TransductionQH301-705.5NF-E2-Related Factor 2Context (language use)BiologyCatalysisNrf2Inorganic Chemistry03 medical and health sciencesmedicinecancerAnimalsHumansPhysical and Theoretical ChemistryMolecular BiologyTranscription factorQD1-999Organic ChemistryCancerCOVID-19NF-κBmedicine.diseaseCOVID-19 Drug Treatment030104 developmental biologychemistryinflammationCytokine stormNeuroscienceInternational Journal of Molecular Sciences
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Biopiracy of natural products and good bioprospecting practice

2016

Made available in DSpace on 2018-11-26T16:27:45Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-02-15 Deutsche Forschungsgemeinschaft Background: Biopiracy mainly focuses on the use of biological resources and/or knowledge of indigenous tribes or communities without allowing them to share the revenues generated out of economic exploitation or other non-monetary incentives associated with the resource/knowledge. Methods: Based on collaborations of scientists from five continents, we have created a communication platform to discuss not only scientific topics, but also more general issues with social relevance. This platform was termed 'PhytCancer -Phytotherapy to Fight Cancer' (www.phy…

0301 basic medicineResource (biology)Drug IndustryInternational CooperationTheftPharmaceutical ScienceIntellectual property0603 philosophy ethics and religionIndigenousPatents as Topic03 medical and health sciencesIndigenous knowledgeDrug DiscoveryPatents as TopicTraditional knowledgeDeveloping CountriesPharmacologyBioprospectingBiological ProductsBioprospectingPlants Medicinalbusiness.industryIntellectual propertyCommercializationOwnership06 humanities and the artsPublic relationsBioethicsNatural resource030104 developmental biologyIncentiveComplementary and alternative medicineEthnopharmacologyMolecular MedicinePatent060301 applied ethicsBusiness
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A FRAP-Based Method for Monitoring Molecular Transport in Ciliary Photoreceptor Cells In Vivo

2016

The outer segment of rod and cone photoreceptor cells represents a highly modified primary sensory cilium. It renews on a daily basis throughout lifetime and effective vectorial transport to the cilium is essential for the maintenance of the photoreceptor cell function. Defects in molecules of transport modules lead to severe retinal ciliopathies. We have recently established a fluorescence recovery after photobleaching (FRAP)-based method to monitor molecular trafficking in living rodent photoreceptor cells. We irreversibly bleach the fluorescence of tagged molecules (e.g. eGFP-Rhodopsin) in photoreceptor cells of native vibratome sections through the retina by high laser intensity. In the…

0301 basic medicineRetinagenetic structuresbiologyChemistryCiliumFluorescence recovery after photobleachingRetinalRod Cell Outer SegmentPhotoreceptor cellTransport protein03 medical and health scienceschemistry.chemical_compound030104 developmental biologymedicine.anatomical_structureRhodopsinmedicineBiophysicsbiology.proteinsense organs
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An RNA toolbox for cancer immunotherapy.

2018

Cancer immunotherapy has revolutionized oncology practice. However, current protein and cell therapy tools used in cancer immunotherapy are far from perfect, and there is room for improvement regarding their efficacy and safety. RNA-based structures have diverse functions, ranging from gene expression and gene regulation to pro-inflammatory effects and the ability to specifically bind different molecules. These functions make them versatile tools that may advance cancer vaccines and immunomodulation, surpassing existing approaches. These technologies should not be considered as competitors of current immunotherapies but as partners in synergistic combinations and as a clear opportunity to r…

0301 basic medicineSequence analysismedicine.medical_treatmentComputational biologyBiologyCancer VaccinesCell therapyImmunomodulation03 medical and health sciencesImmune systemCancer immunotherapyNeoplasmsDrug DiscoveryGene expressionmedicineAnimalsHumansPharmacologyRegulation of gene expressionRNACancerGeneral Medicinemedicine.disease030104 developmental biologyRNARNA InterferenceImmunotherapyNature reviews. Drug discovery
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Antimicrobial and Antibiofilm Activity of a Recombinant Fragment of β-Thymosin of Sea Urchin Paracentrotus lividus

2018

With the aim to obtain new antimicrobials against important pathogens such as Staphylococcus aureus and Pseudomonas aeruginosa, we focused on antimicrobial peptides (AMPs) from Echinoderms. An example of such peptides is Paracentrin 1 (SP1), a chemically synthesised peptide fragment of a sea urchin thymosin. In the present paper, we report on the biological activity of a Paracentrin 1 derivative obtained by recombination. The recombinant paracentrin RP1, in comparison to the synthetic SP1, is 22 amino acids longer and it was considerably more active against the planktonic forms of S. aureus ATCC 25923 and P. aeruginosa ATCC 15442 at concentrations of 50 &micro

0301 basic medicineSettore BIO/05 - ZoologiaPharmaceutical Science<i>Staphylococcus aureus</i>Peptide<i>Paracentrotus lividus</i>Settore BIO/19 - Microbiologia Generalemedicine.disease_causebiofilmDrug DiscoveryPharmacology Toxicology and Pharmaceutics (miscellaneous)lcsh:QH301-705.5chemistry.chemical_classificationbiologyMicrobial Sensitivity TestChemistrymolecular dynamicBiological activityRecombinant ProteinAntimicrobialRecombinant ProteinsAnti-Bacterial AgentsBiochemistrySettore CHIM/03 - Chimica Generale E InorganicaStaphylococcus aureusPeptidePseudomonas aeruginosaStaphylococcus aureuParacentrotusAntibacterial activityAMP (antimicrobial peptides)Staphylococcus aureusSea UrchinAntimicrobial peptidesMicrobial Sensitivity TestsParacentrotus lividusArticle03 medical and health sciencesAnti-Bacterial AgentmedicineAnimalsAMP (antimicrobial peptides); Paracentrotus lividus; Pseudomonas aeruginosa; Staphylococcus aureus; biofilm; molecular dynamics; thymosinAnimalBiofilmthymosinbiology.organism_classificationmolecular dynamics<i>Pseudomonas aeruginosa</i>030104 developmental biologylcsh:Biology (General)Paracentrotus lividusBiofilmsSea UrchinsParacentrotuPeptidesParacentrotus lividuMarine Drugs
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Discovering discriminative graph patterns from gene expression data

2016

We consider the problem of mining gene expression data in order to single out interesting features characterizing healthy/unhealthy samples of an input dataset. We present an approach based on a network model of the input gene expression data, where there is a labelled graph for each sample. To the best of our knowledge, this is the first attempt to build a different graph for each sample and, then, to have a database of graphs for representing a sample set. Our main goal is that of singling out interesting differences between healthy and unhealthy samples, through the extraction of "discriminative patterns" among graphs belonging to the two different sample sets. Differently from the other…

0301 basic medicineSettore INF/01 - Informaticabusiness.industryComputer science0206 medical engineeringpattern discovery subgraph extraction biological networksPattern recognition02 engineering and technologyGraph03 medical and health sciencesComputingMethodologies_PATTERNRECOGNITION030104 developmental biologyDiscriminative modelGraph patternsArtificial intelligencebusiness020602 bioinformaticsBiological networkNetwork modelProceedings of the 31st Annual ACM Symposium on Applied Computing
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