Search results for "design."

showing 10 items of 5715 documents

Pyrano[2,3-e]isoindol-2-ones, new angelicin heteroanalogues

2009

A convenient synthesis of the pyrano[2,3-e]isoindol-2-one ring system, an heteroanalogue of angelicin, is reported. Our synthetic approach consists of the annelation of the pyran ring on the isoindole moiety using 5-dialkylamino- or 5-hydroxymethylene intermediates as building blocks. The photoantiproliferative activity of the new derivatives was studied. Some of them bearing the benzyl group at the 8 position were active with IC(50) in the micromolar range. Cell cytotoxicity involves apoptosis, alteration of cell cycle profile and membrane photodamage.

AnnulationPyrano-isoindolesStereochemistryChemistry PharmaceuticalClinical BiochemistryPharmaceutical ScienceApoptosisIsoindolesRing (chemistry)BiochemistryChemical synthesisInhibitory Concentration 50Jurkat CellsStructure-Activity Relationshipchemistry.chemical_compoundAngelicinCell Line TumorFurocoumarinsDrug DiscoveryHumansMoietyMolecular BiologyPyransMolecular StructurePyrano-isoindoleChemistryPhotochemotherapeutic activityOrganic ChemistryPyrano-isoindoles; Angelicin heteroanalogues; Photochemotherapeutic activity; ApoptosisSettore CHIM/08 - Chimica FarmaceuticaAngelicin heteroanaloguesOxygenModels ChemicalPyranDrug DesignBenzyl groupMolecular MedicineK562 CellsIsoindoleAngelicin heteroanalogueBioorganic & Medicinal Chemistry Letters
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Accommodative intraocular lenses: current status

2005

Purpose of review The possibility of using a monofocal IOL with accommodative ability allows refractive cataract surgery with a clearly decreased potential of photic phenomena. Three IOLs of different designs and materials have demonstrated accommodative ability, but the degree of accommodative amplitude has been reported to different extents and variabilities. The plate-haptic CrystaLens has a hinged design that might permit forward movement of the optic as a result of pressure changes in the vitreous cavity. The 1CU has modified haptics that bend in the bag as the lens capsule contracts, which are supposed to cause anterior displacement of the lens optic. With the dual-optic one-piece Syn…

Anterior lensgenetic structuresmedicine.medical_treatmentCataract ExtractionProsthesis Designlaw.inventionLens Implantation IntraocularlawmedicineHumansLenses IntraocularLens capsulebusiness.industryAccommodation OcularPresbyopiaGeneral MedicinePresbyopiaCataract surgerymedicine.diseaseeye diseasesLens (optics)OphthalmologyIntraocular lensesCapsular bagOptometrysense organsbusinessAccommodationCurrent Opinion in Ophthalmology
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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
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Development of a new indole derivative dry powder for inhalation for the treatment of biofilm-associated lung infections

2022

The aim of this work was to produce an inhalable dry powder formulation of a new anti-biofilm compound (SC38). For this purpose, chitosan was used as a polymeric carrier and l-leucine as a dispersibility enhancer. SC38 was entrapped by spray-drying into previously optimized chitosan microparticles. The final formulation was fully characterized in vitro in terms of particle morphology, particle size and distribution, flowability, aerodynamic properties, anti-biofilm activity and effects on lung cell viability. The SC38-loaded chitosan microparticles exhibited favorable aerodynamic properties with emitted and respirable fractions higher than 80 % and 45 % respectively. The optimized formulati…

Anti-biofilmChitosanLeucineCell viability studySpray-dryingPharmaceutical ScienceDesign of experiments
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Nella città proibita. Conoscibilità, accessibilità e progetto come condizioni per la valorizzazione e il riuso del patrimonio fragile dei beni confis…

2022

In relazione ad una ricerca internazionale volta ad indagare modi di costituzione e di crisi del Pubblico, inteso come insieme di edifici, spazi pubblici, funzioni, processi e pratiche, l’articolo discute la fragilità e la marginalità intrinseche e di fruizione del patrimonio dei beni confiscati, inteso come terzo patrimonio, riconducendole alle sue conoscibilità e accessibilità. Facendo riferimento al territorio comunale di Palermo, la città europea con il più alto numero di beni confiscati alla criminalità mafiosa, l’articolo argomenterà dapprima in termini generali il rapporto fra la frammentazione e l’inadeguatezza dei processi di inventario e la sostanziale inconsapevolezza che consegu…

Anti-cityArchitectural design for the confiscated assetSpatial justiceSettore ICAR/14 - Composizione Architettonica E Urbana
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Multi-disciplinary, Inter-disciplinary, Anti-disciplinary. Transition Knowledges in Design Education

2023

The environmental issues are recently proving to be the center and the connecting element of all the states of crisis, only apparently diversified (energy, political, migration); after the lucid forward-looking analysis of Maldonado in the 70s, the vision proposed in 2019 by the exhibition Broken Nature opens new spaces to the “design hope” activated by design, emphasizing the broad responsibility that the designer must take on contemporary challenges. The complex scenarios of the “transition” (environmental, cultural, productive) are also based on the ability of disciplinary encroachment and on the most radical forms of “anti-disciplinary” innovation, which in some cases opens to design fo…

Anti-disciplinary · Design Education · Design Culture · Complexity · TransitionSettore ICAR/13 - Disegno Industriale
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Synthesis and biological evaluation of abietic acid derivatives

2009

A series of C18-oxygenated derivatives of abietic acid were synthesized and evaluated for their cytotoxic, antimycotic, and antiviral activities. In general, the introduction of an aldehyde group at C18 did improve the resultant bioactivity, while the presence of an acid or alcohol led to less active compounds.

Antifungal AgentsCarboxylic acidMolecular ConformationAntineoplastic AgentsAlcoholHerpesvirus 1 HumanMicrobial Sensitivity TestsPrimary alcoholAntiviral AgentsChemical synthesisAldehydeStructure-Activity Relationshipchemistry.chemical_compoundChlorocebus aethiopsDrug DiscoveryAnimalsHumansStructure–activity relationshipOrganic chemistryAbietic acidVero CellsCandidaCell ProliferationPharmacologychemistry.chemical_classificationDose-Response Relationship DrugAspergillus fumigatusOrganic Chemistryfood and beveragesStereoisomerismGeneral Medicineequipment and suppliesAspergilluschemistryDrug DesignAbietaneslipids (amino acids peptides and proteins)DiterpeneHeLa CellsEuropean Journal of Medicinal Chemistry
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A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies

2019

In the context of an increased incidence of invasive fungal diseases, there is an imperative need of new antifungal drugs with improved activity and safety profiles. A novel series of acylhydrazones bearing a 1,4-phenylene-bisthiazole scaffold was designed based on an analysis of structures known to possess anti-Candida activity obtained from a literature review. Nine final compounds were synthesized and evaluated in vitro for their inhibitory activity against various strains of Candida spp. The anti-Candida activity assay revealed that some of the new compounds are as active as fluconazole against most of the tested strains. A molecular docking study was conducted in order to evaluate the …

Antifungal AgentsMolecular modelIn silicoPharmaceutical ScienceContext (language use)anti-CandidaMicrobial Sensitivity Tests01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-44103 medical and health scienceschemistry.chemical_compoundStructure-Activity Relationshiplcsh:Organic chemistryDrug DiscoverymedicinePhysical and Theoretical ChemistryFluconazole030304 developmental biologyCandida0303 health sciencesMolecular Structure010405 organic chemistrymolecular modelingLanosterolOrganic Chemistryanti-<i>Candida</i>HydrazonesBiological activityIn vitro0104 chemical sciencesMolecular Docking Simulationlanosterol 14α-demethylaseADMETchemistryBiochemistryDesign synthesisChemistry (miscellaneous)Drug DesignMolecular MedicinethiazoleFluconazoleacylhydrazonemedicine.drugProtein BindingMolecules
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New antifungals selected by molecular topology.

1999

Abstract Molecular topology has been applied to find the new lead antimycotic compounds. Among the selected compounds stands out 3,3′-(4,4′ - Biphenylene)bis(2,5-diphenyl-2H-tetrazolium chloride), Benztropine mesylate and Dicyclopentamethylenethiuram disulphide, with minimum inhibitory concentrations between 1.6 and 2 μg / mL.

Antifungal AgentsMolecular modelStereochemistryClinical BiochemistryBiphenyl derivativesPharmaceutical ScienceMicrobial Sensitivity TestsSaccharomyces cerevisiaeBiochemistryChloridechemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoveryCandida albicansmedicineMolecular BiologyTopology (chemistry)Organic ChemistryDiscriminant AnalysisBiphenylenechemistryDrug DesignMolecular MedicineBenztropine MesylateMolecular topologymedicine.drugBioorganicmedicinal chemistry letters
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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
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