Search results for " screen"

showing 10 items of 970 documents

Validation of Abbreviated Form of the Multidimensional Prognostic Index (MPI): The BRIEF-MPI Project

2022

Alberto Cella,1 Nicola Veronese,2 Carlo Custodero,3 Alberto Castagna,4 Lisa A Cammalleri,1 Walter M Capitano,2 Luisa Solimando,2 Luca Carruba,2 Carlo Sabbà,3 Giovanni Ruotolo,4 Mario Barbagallo,2 Alberto Pilotto1,3 1Department of Geriatric Care, Orthogeriatrics and Rehabilitation, E.O. Ospedali Galliera, Genova, Italy; 2Geriatric Unit, Department of Internal Medicine and Geriatrics, University of Palermo, Palermo, Italy; 3Department of Interdisciplinary Medicine, University of Bari “Aldo Moro”, Bari, Italy; 4Geriatrics Unit, “Pugliese Ciaccio” Hospital, Catanzaro, ItalyCorrespondence: Alberto Pilotto, Via delle Mura Capuccine, 14, Genova, 16128, Italy, Tel +39 010 5634400, Fax +39 …

Aged 80 and overMaleFrailtyComorbidityGeneral MedicinePrognosisClinical Interventions in AgingActivities of Daily Livingagreement frailty multidimensional prognostic index screeningHumansFemaleGeriatrics and GerontologyGeriatric AssessmentAgedClinical Interventions in Aging
researchProduct

Relationship between functional vision and balance and mobility performance in community-dwelling older adults

2013

Background and Aims: Vision is an important prerequisite for balance control and mobility. The role of objectively measured visual functions has been previously studied but less is known about associations of functional vision. That refers to selfperceived vision-based ability to perform daily activities. The aim was to investigate the relationship between functional vision and balance and mobility performance in a community-based sample of older adults. Methods: This study is part of a Geriatric Multidisciplinary Strategy for the Good Care of the Elderly project (GeMS). Participants (576) aged 76 to 100 years (mean age 81 years, 70% women) were interviewed using a seven-item functional vis…

Aginggenetic structuresVision screeningPostural balanceMobility limitationeye diseasesAccidental falls
researchProduct

Nociceptin/orphanin FQ opioid receptor (NOP) selective ligand MCOPPB links anxiolytic and senolytic effects

2021

Accumulation of senescent cells may drive age-associated alterations and pathologies. Senolytics are promising therapeutics that can preferentially eliminate senescent cells. Here, we performed a high-throughput automatized screening (HTS) of the commercial LOPAC®Pfizer library on aphidicolin-induced senescent human fibroblasts, to identify novel senolytics. We discovered the nociceptin receptor FQ opioid receptor (NOP) selective ligand 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3-piperidinyl]-1H-benzimidazole (MCOPPB, a compound previously studied as potential anxiolytic) as the best scoring hit. The ability of MCOPPB to eliminate senescent cells in in vitro models was further tested…

Agingmedicine.drug_classNarcotic AntagonistsNOPMCOPPBSenescenceLigandsAnxiolyticMice03 medical and health scienceschemistry.chemical_compound0302 clinical medicinePiperidinesSenotherapeuticsOpioid receptormedicineAnimalsHumansSenolyticCaenorhabditis elegansReceptorSenolyticCellular Senescence030304 developmental biology0303 health sciencesNOPSenolytic.ChemistryLigand (biochemistry)High-Throughput Screening Assays3. Good healthCell biologyAnalgesics OpioidNociceptin receptorAnti-Anxiety AgentsOpioid PeptidesReceptors OpioidOriginal ArticleGeriatrics and Gerontology030217 neurology & neurosurgeryGeroScience
researchProduct

Irreversible Inhibition of Epidermal Growth Factor Receptor Activity by 3-Aminopropanamides

2012

Irreversible epidermal growth factor receptor (EGFR) inhibitors contain a reactive warhead which covalently interacts with a conserved cysteine residue in the kinase domain. The acrylamide fragment, a commonly employed warhead, effectively alkylates Cys797 of EGFR, but its reactivity can cause rapid metabolic deactivation or nonspecific reactions with off-targets. We describe here a new series of irreversible inhibitors containing a 3-aminopropanamide linked in position 6 to 4-anilinoquinazoline or 4-anilinoquinoline-3- carbonitrile driving portions. Some of these compounds proved to be as efficient as their acrylamide analogues in inhibiting EGFR-TK (TK = tyrosine kinase) autophosphorylati…

AmideCell SurvivalEGFR inhibitorsQuinolineAntineoplastic AgentsAntineoplastic AgentStructure-Activity RelationshipT790MGefitinibCell Line TumorDrug DiscoveryPropionatemedicineHumansStructure–activity relationshipEpidermal growth factor receptorPhosphorylationAniline CompoundsbiologyChemistryDrug Discovery3003 Pharmaceutical ScienceAutophosphorylationQuinazolineAniline CompoundAmidesSettore CHIM/08 - Chimica FarmaceuticaErbB ReceptorsBiochemistryProtein kinase domainDrug Resistance NeoplasmQuinazolinesQuinolinesbiology.proteinMolecular MedicinePhosphorylationReceptor Epidermal Growth FactorPropionatesDrug Screening Assays AntitumorTyrosine kinaseHumanmedicine.drugJournal of Medicinal Chemistry
researchProduct

Synthesis and biological activities of a new class of heat shock protein 90 inhibitors, designed by energy-based pharmacophore virtual screening

2013

The design through energy-based pharmacophore virtual screening has led to aminocyanopyridine derivatives as efficacious new inhibitors of Hsp90. The synthesized compounds showed a good affinity for the Hsp90 ATP binding site in the competitive binding assay. Moreover, they showed an excellent antiproliferative activity against a large number of human tumor cell lines. Further biological studies on the derivative with the higher EC50 confirmed its specific influence on the cellular pathways involving Hsp90.

AminopyridinesInhibitory Concentration 50Structure-Activity RelationshipUser-Computer InterfaceHeat shock proteinCell Line TumorSettore BIO/10 - BiochimicaDrug DiscoveryHumansHSP90 Heat-Shock ProteinsBinding siteVirtual screeningheat shock protein 90 inhibitors energy-based pharmacophore virtual screening cell cycle antiproliferative activitybiologyChemistryHsp90Combinatorial chemistrySettore CHIM/08 - Chimica FarmaceuticaHuman tumorMolecular Docking SimulationCell cultureDrug DesignEnergy basedbiology.proteinMolecular MedicinePharmacophoreDrug Screening Assays Antitumor
researchProduct

Apoptotic effects of different drugs on cultured retinoblastoma Y79 cells

1998

This paper deals with the apoptotic effect exerted in human retinoblastoma Y79 cells by a number of compounds. A remarkable effect was observed after treatment with DNA-damaging agents, such as camptothecin, etoposide, cisplatin and carboplatin; camptothecin was found to be the most efficacious. Treatment with these compounds induced the appearance of morphological features of apoptosis in the cells together with the distinct fragmentation of DNA, as shown by agarose gel electrophoresis. These effects were also accompanied by a remarkable increase in the level of p53. Many other compounds, which are not DNA-damaging agents, induced the morphological features of apoptosis but none of them we…

AmsacrinePaclitaxelDNA damageAntineoplastic AgentsApoptosisSuraminDNA ladderingBiologyretinoblastomaCarboplatinchemistry.chemical_compoundTumor Cells CulturedmedicineHumansFragmentation (cell biology)EtoposideCisplatinSodium butyrateGeneral MedicineAntineoplastic Agents PhytogenicMolecular biologyButyrateschemistryApoptosisAgarose gel electrophoresisImmunologyButyric AcidCamptothecinCisplatinDrug Screening Assays AntitumorCamptothecinDNA Damagemedicine.drug
researchProduct

Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental asses…

2004

Abstract Helminth infections are a medical problem in the world nowadays. In this paper a novel atom-level chemical descriptor has been applied to estimate the anthelmintic activity. Total and local linear indices and linear discriminant analysis were used to obtain a quantitative model that discriminates between anthelmintic and non-anthelmintic drug-like compounds. The discriminant model has an accuracy of 90.11% in the training set, with a high Matthews’ correlation coefficient (MCC = 0.80). To assess the robustness and predictive power of the obtained model, internal (leave-n-out) and external validation process was performed. The QSAR model correctly classified 88.55% of compounds in t…

AnthelminticsQuantitative structure–activity relationshipVirtual screeningCorrelation coefficientStereochemistryChemistryOrganic ChemistryClinical BiochemistryPharmaceutical ScienceDerivativeLinear discriminant analysisBiochemistrySet (abstract data type)Models ChemicalRobustness (computer science)Atom (measure theory)Drug DesignDrug DiscoveryMolecular MedicineBiological systemMolecular BiologyBioorganicmedicinal chemistry
researchProduct

Characterization of the interaction of the antifungal and cytotoxic cyclic glycolipopeptide hassallidin with sterol-containing lipid membranes.

2019

Hassallidins are cyclic glycolipopeptides produced by cyanobacteria and other prokaryotes. The hassallidin structure consists of a peptide ring of eight amino acids where a fatty acid chain, additional amino acids, and sugar moieties are attached. Hassallidins show antifungal activity against several opportunistic human pathogenic fungi, but does not harbor antibacterial effects. However, they have not been studied on mammalian cells, and the mechanism of action is unknown. We purified hassallidin D from cultured cyanobacterium Anabaena sp. UHCC 0258 and characterized its effect on mammalian and fungal cells. Ultrastructural analysis showed that hassallidin D disrupts cell membranes, causin…

Antifungal AgentskolesteroliPeptideLipopeptide01 natural sciencesBiochemistrychemistry.chemical_compoundSTRUCTURE ELUCIDATIONCandida albicansMARINE CYANOBACTERIAmammalian cellsmembrane1183 Plant biology microbiology virologychemistry.chemical_classification0303 health sciencesCell DeathMembraneGlycopeptidesLipopeptideHERBICOLIN-ADEHYDROPEPTIDE LACTONEAmino acidSterolsCholesterolMembraneBiochemistrysolunsalpaajatMitochondrial Membranesmedicine.symptomBacterial outer membraneBiophysicsmechanismAntineoplastic Agentssaponin digitoninMolecular dynamicsCyanobacteriaITURIN-A03 medical and health sciencesLipopeptidesMembrane LipidsNATURAL-PRODUCTSCell Line TumormedicineHumansPropidium iodidesyanobakteerit030304 developmental biologyantimikrobiset yhdisteet010405 organic chemistryMAJOR COMPONENTCell BiologyluonnonaineetAnabaenaSterol0104 chemical sciencesMechanism of actionchemistrylipopeptidepeptiditMOLECULAR-DYNAMICS1182 Biochemistry cell and molecular biologyDrug Screening Assays AntitumorGlycolipidsBiochimica et biophysica acta. Biomembranes
researchProduct

QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents

2015

The QuBiLs-MAS approach is used for the in silico modelling of the antifungal activity of organic molecules. To this effect, non-stochastic (NS) and simple-stochastic (SS) atom-based quadratic indices are used to codify chemical information for a comprehensive dataset of 2478 compounds having a great structural variability, with 1087 of them being antifungal agents, covering the broadest antifungal mechanisms of action known so far. The NS and SS index-based antifungal activity classification models obtained using linear discriminant analysis (LDA) yield correct classification percentages of 90.73% and 92.47%, respectively, for the training set. Additionally, these models are able to correc…

AntifungalQuantitative structure–activity relationshipAntifungal AgentsLinear discriminant analysismedicine.drug_classIn silicoAtom-based quadratic indicesQSAR modelQuantitative Structure-Activity RelationshipBioengineeringDrug developmentComputational biologyQuantitative structure activity relationVrtual screening antifungal agentDrug DiscoverymedicineComputer SimulationDrug identificationChemistryDrug discoveryLinear modelDiscriminant AnalysisGeneral MedicineLinear discriminant analysisCombinatorial chemistryChemistryTest setLinear ModelsMolecular MedicineQuBiLs-MAS softwareStatistical modelAntifungal agent
researchProduct

Recent advances in computational design of potent aromatase inhibitors: open-eye on endocrine-resistant breast cancers.

2019

Introduction: The vast majority of breast cancers (BC) are estrogen receptor positive (ER+). The most effective treatments to fight this BC type rely on estrogen deprivation therapy, by inhibiting the aromatase enzyme, which performs estrogen biosynthesis, or on blocking the estrogens signaling path via modulating/degrading the estrogen's specific nuclear receptor (estrogen receptor-?, ER?). While being effective at early disease stage, patients treated with aromatase inhibitors (AIs) may acquire resistance and often relapse after prolonged therapies. Areas covered: In this compendium, after an overview of the historical development of the AIs currently in clinical use, and of the computati…

Antineoplastic Agents Hormonalmedicine.drug_classCYP450sEstrogen receptorallostery; aromatase inhibitors; Breast cancer; CYP450s; ligand-based and structure-based drug design; molecular dynamics; virtual screeningBreast NeoplasmsMolecular Dynamics SimulationBioinformatics03 medical and health sciencesBreast cancer0302 clinical medicineBreast cancerDrug DiscoverymedicineEndocrine systemHumansAromataseSurvival rate030304 developmental biologyCause of deathNeoplasm Staging0303 health sciencesallosterybiologybusiness.industryAromatase Inhibitorsvirtual screeningmedicine.diseaseligand-based and structure-based drug designmolecular dynamicsSurvival RateNuclear receptorEstrogenDrug Resistance Neoplasm030220 oncology & carcinogenesisDrug Designbiology.proteinFemalebusinessExpert opinion on drug discovery
researchProduct