Search results for "Screen"

showing 10 items of 1374 documents

Synthesis, antiproliferative activity, and mechanism of action of a series of 2-{[2E]-3-phenylprop-2-enoylamino}benzamides

2011

Several new 2-{[(2E)-3-phenylprop-2-enoyl]amino}benzamides 12a–s and 17t–v were synthesized by stirring in pyridine the (E)-3-(2-R1-3-R2-4-R3-phenyl)acrylic acid chlorides 11c–k and 11t–v with the appropriate anthranilamide derivatives 10a–c or the 5-iodoanthranilic acid 13. Some of the synthesized compounds were evaluated for their in vitro antiproliferative activity against the full NCI tumor cell line panel derived from nine clinically isolated cancer types (leukemia, non-small cell lung, colon, CNS, melanoma, ovarian, renal, prostate and breast). COMPARE analysis, effects on tubulin polymerization in cells and with purified tubulin, and effects on cell cycle distribution for 17t, the mo…

Pyridinesmedicine.drug_classStereochemistryAntineoplastic AgentsCarboxamideChemical synthesisArticlePolymerizationInhibitory Concentration 50Structure-Activity RelationshipTubulinCell Line TumorDrug DiscoverymedicineHumansStructure–activity relationshiportho-AminobenzoatesCytotoxicity2-{[2E]-3-phenylprop-2-enoylamino}benzamides antimitotic agents cytotoxic activityPharmacologyDose-Response Relationship DrugbiologyChemistryTubulin ModulatorsCell CycleOrganic ChemistryGeneral MedicineCell cycleSettore CHIM/08 - Chimica FarmaceuticaTubulin ModulatorsTubulinAcrylatesMechanism of actionBiochemistryBenzamidesbiology.proteinDrug Screening Assays Antitumormedicine.symptom
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An unexpected Dimroth rearrangement leading to annelated thieno[3,2-d][1,2,3]triazolo[1,5-a]pyrimidines with potent antitumor activity.

2013

An unusual Dimroth rearrangement occurring in the reaction leading to annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine core allowed the isolation of the linear isomer thieno[3,2-d][1,2,3]triazolo[1,5-a]pyrimidine. By decorating the linear isomer with the same chains that improved the biological activity of the angular isomers, new annelated thieno[3,2-d][1,2,3]triazolo[1,5-a]pyrimidines were designed and synthesized. They were selected by the Developmental Therapeutics Program (DTP) of the National Cancer Institute (NCI) for the anticancer screening against a panel of 60 human tumor cell lines. The biological results showed that the new derivatives exhibited strong antiproliferative …

PyrimidineStereochemistryAntineoplastic AgentsAnnelated thienotriazolopyrimidines Domino reactions Dimroth rearrangement Developmental Therapeutics Program (DTP) Anticancer agentsDimroth rearrangementD-1chemistry.chemical_compoundStructure-Activity RelationshipCell Line TumorDrug DiscoveryHumansCell ProliferationPharmacologyAntitumor activityLow toxicityDose-Response Relationship DrugMolecular StructureOrganic ChemistryBiological activityGeneral MedicineTriazolesSettore CHIM/08 - Chimica FarmaceuticaHuman tumorPyrimidineschemistryActive compoundDrug Screening Assays AntitumorEuropean journal of medicinal chemistry
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New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol

2012

Drug design was performed through the Virtual Lock-and-Key (VLAK) protocol. This in silico approach allowed to select new annelated thienotriazolopyrimidine derivatives, potentially antitumor drugs. Starting from benzothieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine and Pyrido[3',2':4,5]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine core structures, new derivatives of these nuclei were designed and synthesized. Three of them were selected by the Development Therapeutical Program (DTP) of the National Cancer Institute (NCI) for the anticancer screening against a panel of 60 human tumor cell lines. The biological results showed that the new derivatives exhibited an excellent antiproliferative act…

PyrimidineStereochemistryAntineoplastic AgentsThiophenesStructure-Activity Relationshipchemistry.chemical_compoundCell Line TumorDrug DiscoveryHumansStructure–activity relationshipPotencyAnnelated thienotriazolopyrimidines Domino reactions VLAK protocol Developmental Therapeutics Program (DTP) Anticancer agentsCell ProliferationPharmacologyDose-Response Relationship DrugMolecular StructureLow toxicityOrganic ChemistryGeneral MedicineTriazolesCombinatorial chemistrySettore CHIM/08 - Chimica FarmaceuticaHuman tumorPyrimidineschemistryDrug Screening Assays Antitumor
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Pyrrolo[3,2-h]quinazolines as Photochemotherapeutic Agents

2011

Heteroanalogues of angelicin, pyrrolo[3,2-h]quinazolines, were synthesized with the aim of obtaining new potent photochemotherapeutic agents. Many derivatives caused a significant decrease in cell proliferation in several human tumor cell lines after irradiation with UVA light (GI(50) =15.2-0.2 μM). Their phototoxicity effected apoptosis in Jurkat cells with the involvement of mitochondria (as determined by the loss of mitochondrial membrane potential and production of reactive oxygen species) and lysosomes. The phototoxicity of these compounds could be explained by lipid peroxidation.

Pyrrolo[3; 2-h]quinazolines; Angelicin; Photochemotherapeutic AgentsAngelicinUltraviolet RaysApoptosisMitochondrion2-h]quinazolinesBiochemistryJurkat cellsLipid peroxidationStructure-Activity Relationshipchemistry.chemical_compoundAngelicinCell Line TumorFurocoumarinsPhotochemotherapeutic AgentsDrug DiscoveryHumansPyrrolo[32-h]quinazolinePyrrolesPyrrolo[3General Pharmacology Toxicology and PharmaceuticsPharmacologychemistry.chemical_classificationReactive oxygen speciesPhotosensitizing AgentsOrganic ChemistrySettore CHIM/08 - Chimica FarmaceuticachemistryBiochemistryApoptosisCell cultureQuinolinesMolecular MedicineDrug Screening Assays AntitumorReactive Oxygen SpeciesPhototoxicityChemMedChem
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ATR-FTIR spectroscopy as a quality control system for monitoring the storage of blood products

2021

Blood screening is a fundamental part of disease diagnosis and monitoring health. Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy offers an innovative solution to streamlining the process, especially for multianalyte detection in aqueous samples. However, samples always undergo a storage phase before they are processed for testing and blood transfusion. In this study, we investigated the effect of standard storage procedures on the macromolecular composition of whole blood, and plasma collected in blood tubes for diagnostic purposes and initial screening of blood products. Periphery blood samples were collected from 10 volunteers and then stored for 14 days a…

Quality ControlErythrocytesBlood transfusionResolution (mass spectrometry)General Chemical Engineeringmedicine.medical_treatmentInfrared spectroscopyAtaxia Telangiectasia Mutated Proteins01 natural sciencesAnalytical Chemistry03 medical and health sciencesSpectroscopy Fourier Transform InfraredPartial least squares regressionmedicineHumansLeast-Squares Analysis030304 developmental biologyWhole bloodBlood Specimen Collection0303 health sciencesChromatographyFourier AnalysisChemistry010401 analytical chemistryGeneral EngineeringBlood Screening0104 chemical sciencesBloodQuality control systemAttenuated total reflectionAnalytical Methods
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Improving the management of potentially predictable hospital readmissions of the elderly and their quality of life through new icts

2013

3rd International Conference on the Elderly and New Technologies. III Jornadas Internacionales de Mayores y Nuevas Tecnologías. The ageing population is currently beginning to create economic repercussions, as ageing often implies an increase of health expenditure related to, specially, hospital admissions and/or unplanned readmissions and long term care services. The present paper deals with two strategies that could be implemented through the establishment and use of new technologies to avoid these increasing costs: 1) screening tools of health information systems aimed at identifying patients at risk of hospital readmissions or repeated use of health resources; and 2) new icts at elderly…

Quality of lifePopulation ageingherramientas de cribajeEmerging technologiesPublic housingCalidad de vidaHealth and social careElderly peopleAsistencia sociosanitariaHealth informaticsHospitalizaciones de repeticiónIntegració econòmicaQuality of lifeMedicineOperations managementHospital readmissionsScreening toolsTICSostenibilidad socialbusiness.industryGeneral MedicineSocial sustainabilityLong-term careSocial protectionSustainabilityCarsbusiness
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Betreuungsbedarf und subjektiver Unterstützungswunsch von Krebspatientinnen im Längsschnitt – Prädiktoren und Korrelate

2020

The need for psychosocial support and patients' desire for psychosocial support in female cancer patients - predictors and correlates Objectives: The aims of the present study were to determine the need for psychosocial support of cancer patients, the subjective request for support and to examine the relationship between the need for psychosocial counselling, psychological distress and quality of life. Methods: 112 patients (consecutive) answered questionnaires about mental stress (GAD-2 and PHQ-2), quality of life (SF-8) as well as the Hornheide Screening Instrument (HSI) during their hospital stay (T1), two weeks (T2) and three months after their discharge (T3). Results: The need for psyc…

Quality of lifebusiness.industryMental stressMedicineCancerPsychological distressbusinessmedicine.diseaseHospital stayPsychosocialPsychosocial supportScreening instrumentClinical psychologyZeitschrift für Psychosomatische Medizin und Psychotherapie
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Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones

2014

Protozoan parasites have been one of the most significant public health problems for centuries and several human infections caused by them have massive global impact. Most of the current drugs used to treat these illnesses have been used for decades and have many limitations such as the emergence of drug resistance, severe side-effects, low-to-medium drug efficacy, administration routes, cost, etc. These drugs have been largely neglected as models for drug development because they are majorly used in countries with limited resources and as a consequence with scarce marketing possibilities. Nowadays, there is a pressing need to identify and develop new drug-based antiprotozoan therapies. In …

Quantitative structure–activity relationshipClinical BiochemistryAntiprotozoal AgentsQuantitative Structure-Activity RelationshipPharmaceutical ScienceLinear classifierBioinformaticsMachine learningcomputer.software_genreBiochemistryQuinoxalinesMolecular descriptorDrug DiscoveryBioassayMolecular BiologyVirtual screeningMolecular Structurebusiness.industryChemistryOrganic ChemistryBenchmark databaseDrug developmentCyclizationMolecular MedicineIn silico StudyArtificial intelligenceTOMOCOMD-CARDD SoftwarebusinessClassifier (UML)computer
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Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays

2006

QSAR (quantitative structure-activity relationship) studies of tyrosinase inhibitors employing Dragon descriptors and linear discriminant analysis (LDA) are presented here. A data set of 653 compounds, 245 with tyrosinase inhibitory activity and 408 having other clinical uses were used. The active data set was processed by k-means cluster analysis in order to design training and prediction series. Seven LDA-based QSAR models were obtained. The discriminant functions applied showed a globally good classification of 99.79% for the best model Class=-96.067+1.988 x 10(2)X0Av +9 1.907 BIC3 + 6.853 CIC1 in the training set. External validation processes to assess the robustness and predictive pow…

Quantitative structure–activity relationshipDatabases FactualStereochemistryTyrosinaseQuantitative Structure-Activity RelationshipComputational biologyLigandsChemometricschemistry.chemical_compoundPiperidinesDrug DiscoveryComputer SimulationPharmacologyVirtual screeningbiologyChemistryOrganic ChemistryIn vitro toxicologyComputational BiologyDiscriminant AnalysisReproducibility of ResultsGeneral MedicineLinear discriminant analysisEnzyme inhibitorDrug Designbiology.proteinPeptidesKojic acidSoftwareEuropean Journal of Medicinal Chemistry
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Prospective computational design and in vitro bio-analytical tests of new chemical entities as potential selective CYP17A1 lyase inhibitors

2019

[EN] The development and advancement of prostate cancer (PCa) into stage 4, where it metastasize, is a major problem mostly in elder males. The growth of PCa cells is stirred up by androgens and androgen receptor (AR). Therefore, therapeutic strategies such as blocking androgens synthesis and inhibiting AR binding have been explored in recent years. However, recently approved drugs (or in clinical phase) failed in improving the expected survival rates for this metastatic-castration resistant prostate cancer (mCRPC) patients. The selective CYP17A1 inhibition of 17,20-lyase route has emerged as a novel strategy. Such inhibition blocks the production of androgens everywhere they are found in t…

Quantitative structure–activity relationshipStereochemistry01 natural sciencesBiochemistryStructure-Activity Relationship3D-QSAR pharmacophore modelDrug DiscoveryCytochrome P-450 Enzyme InhibitorsHumansStructure–activity relationshipCYP17A1 InhibitorMolecular BiologyDensity Functional TheoryVirtual screeningDose-Response Relationship DrugMolecular Structure010405 organic chemistryChemistryOrganic ChemistryProspective computational designSteroid 17-alpha-Hydroxylasecomputer.file_format1720-lyase selective inhibitionProtein Data BankLyase0104 chemical sciencesMolecular Docking Simulation010404 medicinal & biomolecular chemistryDocking (molecular)CYP17A1 inhibitorsMetastatic-castration resistant prostate cancerPharmacophorecomputer
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