Search results for "Assays"

showing 10 items of 546 documents

Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A tr…

2014

Gram-positive bacteria, in general, and staphylococci, in particular, are the widespread cause of nosocomial and community-acquired infections. The rapid evolvement of strains resistant to antibiotics currently in use is a serious challenge. Novel antimicrobial compounds have to be developed to fight these resistant bacteria, and sortase A, a bacterial cell wall enzyme, is a promising target for novel therapies. As a transpeptidase that covalently attaches various virulence factors to the cell surface, this enzyme plays a crucial role in the ability of bacteria to invade the host's tissues and to escape the immune response. In this study we have screened a small molecule library against rec…

Staphylococcus aureusClinical BiochemistryPharmaceutical ScienceVirulenceStaphylococcal infectionsmedicine.disease_causeBiochemistryBacterial cell structureMicrobiologyStructure-Activity RelationshipBacterial ProteinsSortaseDrug DiscoverymedicineFluorescence Resonance Energy TransferHumansEnzyme InhibitorsMolecular BiologybiologyChemistryOrganic ChemistryStaphylococcal InfectionsAntimicrobialmedicine.diseasebiology.organism_classificationAminoacyltransferasesHigh-Throughput Screening AssaysMolecular Docking SimulationCysteine EndopeptidasesThiazolesBiochemistryStaphylococcus aureusSortase AMolecular MedicineBacteriaBioorganicmedicinal chemistry
researchProduct

Pathway analysis of high-throughput biological data within a Bayesian network framework

2011

Abstract Motivation: Most current approaches to high-throughput biological data (HTBD) analysis either perform individual gene/protein analysis or, gene/protein set enrichment analysis for a list of biologically relevant molecules. Bayesian Networks (BNs) capture linear and non-linear interactions, handle stochastic events accounting for noise, and focus on local interactions, which can be related to causal inference. Here, we describe for the first time an algorithm that models biological pathways as BNs and identifies pathways that best explain given HTBD by scoring fitness of each network. Results: Proposed method takes into account the connectivity and relatedness between nodes of the p…

Statistics and ProbabilityComputer scienceHigh-throughput screeningGene regulatory networkcomputer.software_genreModels BiologicalBiochemistrySynthetic dataBiological pathwayBayes' theoremHumansGene Regulatory NetworksCarcinoma Renal CellMolecular BiologyGeneBiological dataMicroarray analysis techniquesGene Expression ProfilingBayesian networkRobustness (evolution)Bayes TheoremPathway analysisKidney NeoplasmsHigh-Throughput Screening AssaysComputer Science ApplicationsGene expression profilingComputational MathematicsComputational Theory and MathematicsCausal inferenceData miningcomputerAlgorithmsSoftwareBioinformatics
researchProduct

Synthesis and biological evaluation of cyclic derivatives of combretastatin A-4 containing group 14 elements

2018

Several tricyclic compounds inspired by the structure of combretastatin A-4 and bearing group 14 elements have been synthesized by homocoupling lithiated aryl fragments followed by ring-closing metathesis. These tricyclic compounds and their diolefin precursors were evaluated for their antiproliferative action on the tumor cell lines HT-29, MCF-7, HeLa and A-549 and on the non-tumor cell line HEK-293. In addition, their effects on the cell cycle were also measured. The tricyclic compounds show antiproliferative activity similar to that of combretastatin A-4, even though they are not so active in arresting the cell cycle. However, some diolefin precursors are able to cause accumulation of ce…

Stereochemistry010402 general chemistry01 natural sciencesBiochemistryHeLachemistry.chemical_compoundTubulinCell Line TumorNeoplasmsStilbenesHumansPhysical and Theoretical ChemistryCell ProliferationCombretastatin A-4Tube formationCombretastatinchemistry.chemical_classificationbiology010405 organic chemistryArylCell CycleOrganic ChemistryCell cyclebiology.organism_classificationAntineoplastic Agents PhytogenicVascular Endothelial Growth Factor Receptor-20104 chemical sciencesHEK293 CellschemistryCell cultureDrug Screening Assays AntitumorTricyclic
researchProduct

Acylated oleanane-type saponins from Ganophyllum giganteum

2014

Abstract Five oleanane-type saponins , 3- O -β- D -glucuronopyranosylzanhic acid 28- O -β- D -xylopyranosyl-(1→3)-[α- L -rhamnopyranosyl-(1→2)]-(4- O -acetyl)-β- D -fucopyranosyl ester ( 1 ), 3- O -β- D -glucopyranosylzanhic acid 28- O -β- D -xylopyranosyl-(1→3)-[α- L -rhamnopyranosyl-(1→2)]-(4- O -acetyl)-β- D -fucopyranosyl ester ( 2 ), zanhic acid 28- O -β- D -xylopyranosyl-(1→3)-[α- L -rhamnopyranosyl-(1→2)]-(4- O -acetyl)-β- D -fucopyranosyl ester ( 3 ), zanhic acid 28- O -α- L -rhamnopyranosyl-(1→2)-4- O -[(3′-hydroxy-2′-methyl-butyroyloxy)-3-hydroxy-2-methyl-butyroyloxy]-β- D -fucopyranosyl ester ( 4 ), medicagenic acid 28- O -α- L -rhamnopyranosyl-(1→2)-4- O -[(3′-hydroxy-2′-methyl-…

StereochemistryAcylationMolecular ConformationPlant ScienceHorticulturePlant RootsBiochemistryMiceStructure-Activity Relationshipchemistry.chemical_compoundSapindaceaeCell Line TumorAnimalsHumansOrganic chemistryMoietyOleanolic AcidMolecular BiologyOleananeCell ProliferationInflammationBiological ProductsDose-Response Relationship DrugChemistryHydrolysisAnti-Inflammatory Agents Non-SteroidalGeneral MedicineSaponinsAntineoplastic Agents PhytogenicMedicagenic acidDoratoxyleaeDrug Screening Assays AntitumorPhytochemistry
researchProduct

Novel Acylated Triterpene Glycosides from Muraltia heisteria

2002

Four new acylated triterpene glycosides (1-4) have been isolated as two inseparable mixtures of the trans- and cis-3,4,5-trimethoxycinnamoyl derivatives (1,2 and 3,4) from the roots of Muraltia heisteria. The structures of these compounds were elucidated by various 1D and 2D NMR techniques, including (1)H and (13)C, COSY, NOESY, HSQC, TOCSY, and HMBC experiments and FABMS. Compounds 3 and 4 were shown to be cytotoxic in a human colon cancer cell line but did not show any ability to potentiate in vitro cisplatin cytotoxicity.

StereochemistryAcylationSaponinPharmaceutical ScienceStereoisomerismPharmacognosyPlant RootsAnalytical ChemistrySouth AfricaTriterpeneDrug DiscoveryTumor Cells CulturedHumansOrganic chemistryNuclear Magnetic Resonance BiomolecularChromatography High Pressure LiquidPharmacologychemistry.chemical_classificationMolecular StructureChemistryHydrolysisOrganic ChemistryGlycosideStereoisomerismBiological activitySaponinsAntineoplastic Agents PhytogenicTriterpenesTerpenoidPolygalaceaeComplementary and alternative medicineMolecular MedicineCisplatinDrug Screening Assays AntitumorHT29 CellsTwo-dimensional nuclear magnetic resonance spectroscopyJournal of Natural Products
researchProduct

Synthesis and biological evaluation of 2- and 3-aminobenzo[b]thiophene derivatives as antimitotic agents and inhibitors of tubulin polymerization.

2007

Two new series of inhibitors of tubulin polymerization based on the 2-amino-3-(3,4,5-trimethoxybenzoyl)benzo[b]thiophene molecular skeleton and its 3-amino positional isomer were synthesized and evaluated for antiproliferative activity, inhibition of tubulin polymerization, and cell cycle effects. Although many more 3-amino derivatives have been synthesized so far, the most promising compound in this series was 2-amino-6-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]thiophene, which inhibits cancer cell growth at subnanomolar concentrations and interacts strongly with tubulin by binding to the colchicine site.

StereochemistryAntimitotic Agents/chemistry Antimitotic Agents/pharmacologymacromolecular substancesThiophenesAntimitotic AgentsChemical synthesischemistry.chemical_compoundMiceRadioligand AssayStructure-Activity RelationshipTubulinCell Line TumorDrug DiscoveryThiopheneStructure–activity relationshipAnimalsHumansCytotoxicityCell ProliferationBinding SitesbiologyBicyclic moleculeChemistryTubulin ModulatorsCell CycleTubulin ModulatorsTubulinbiology.proteinMolecular MedicineAntimitotic AgentDrug Screening Assays AntitumorColchicineProtein BindingJournal of medicinal chemistry
researchProduct

Beyond Pseudo‐natural Products: Sequential Ugi/Pictet‐Spengler Reactions Leading to Steroidal Pyrazinoisoquinolines That Trigger Caspase‐Independent …

2021

In this work, we describe how stereochemically complex polycyclic compounds can be generated by applying a synthetic sequence comprising an intramolecular Ugi reaction followed by a Pictet-Spengler cyclization on steroid-derived scaffolds. The resulting compounds, which combine a fragment derived from a natural product and a scaffold not found in nature. are both structurally distinct and globally similar to natural products at the same time, and interrogate an alternative region of the chemical space. One of the new compounds showed significant antiproliferative activity on HepG2 cells through a caspase-independent cell-death mechanism, an appealing feature when new antitumor compounds are…

StereochemistryAntineoplastic AgentsSequence (biology)01 natural sciencesBiochemistryPiperazineschemistry.chemical_compoundDrug DiscoveryHumansGeneral Pharmacology Toxicology and PharmaceuticsCell ProliferationPharmacologyBiological ProductsNatural productPictet–Spengler reactionCell DeathMolecular Structure010405 organic chemistryOrganic ChemistryCaspase independentStereoisomerismHep G2 CellsIsoquinolinesChemical space0104 chemical sciences010404 medicinal & biomolecular chemistrychemistryCaspasesIntramolecular forceHepg2 cellsMolecular MedicineUgi reactionSteroidsDrug Screening Assays AntitumorChemMedChem
researchProduct

Bioactive pyrrole alkaloids isolated from the Red Sea : marine sponge Stylissa carteri

2017

Abstract Fifteen pyrrole alkaloids were isolated from the Red Sea marine sponge Stylissa carteri and investigated for their biological activities. Four of them were dibrominated [(+) dibromophakelline, Z-3-bromohymenialdisine, (±) ageliferin and 3,4-dibromo-1H-pyrrole-2-carbamide], nine compounds were monobrominated [(−) clathramide C, agelongine, (+) manzacidin A, (−) 3-bromomanzacidin D, Z-spongiacidin D, Z-hymenialdisine, 2-debromostevensine, 2-bromoaldisine and 4-bromo-1H-pyrrole-2-carbamide)] and finally, two compounds were non-brominated derivatives viz., E-debromohymenialdisine and aldisine. The structure elucidations of isolated compounds were based on 1D & 2D NMR spectroscopic …

StereochemistryCell Survival01 natural sciencesGeneral Biochemistry Genetics and Molecular BiologyCell LineRSchemistry.chemical_compoundAlkaloidsAnimalsHumansPyrrolesProtein kinase ACytotoxicityIndian OceanAgeliferinPyrrolebiologyMolecular Structure010405 organic chemistryKinasebiology.organism_classificationHCT116 Cells0104 chemical sciencesPorifera010404 medicinal & biomolecular chemistrySpongechemistryStylissa carteriDrug Screening Assays AntitumorTwo-dimensional nuclear magnetic resonance spectroscopy
researchProduct

Synthesis and structure-activity relationship studies of cytotoxic cinnamic alcohol derivatives.

2011

Three series of di- and trisubstituted derivatives of cinnamic alcohol and its conjugated dienol analogues were designed and synthesised. The derivatives were screened for cytotoxicity against nine tumour cell lines: KB, A549, Hela, CNE, PC-3, BEL-7404, HL-60, BGC823 and P388D1. Most of the cinnamic alcohol derivatives showed cytotoxic activity. The compound 7-(4',5'-dichlorobenzyloxy)-6,8-dihydroxycinnamic alcohol (55) exhibited significant cytotoxicity to seven human tumour cell lines on a micromolar range, especially with regard to the KB and P388D1 cell lines, showing IC(50) values of 0.4 and 0.5 µM, respectively. The structure-activity relationships of the derivatives are discussed.

StereochemistryCell SurvivalPropanolsAlcoholAntineoplastic AgentsHL-60 CellsPlant ScienceConjugated systemBiochemistryAnalytical ChemistryHeLachemistry.chemical_compoundStructure-Activity RelationshipCell Line TumorStructure–activity relationshipCytotoxic T cellHumansCytotoxicityCinnamyl alcoholbiologyChemistryOrganic Chemistrybiology.organism_classificationCell cultureDrug Screening Assays AntitumorHeLa CellsNatural product research
researchProduct

Identification of a Terphenyl Derivative that Blocks the Cell Cycle in the G0−G1 Phase and Induces Differentiation in Leukemia Cells

2006

To further explore the SAR of resveratrol-related trans-stilbene derivatives, here we describe the synthesis of (a) a series of 3,5-dimethoxy analogues in which a variety of substituents were introduced at positions 2', 3', 4', and 5' of the stilbene scaffold and (b) a second group of derivatives (2-phenylnaphthalenes and terphenyls) that incorporate a phenyl ring as a bioisosteric replacement of the stilbene alkenyl bridge. We thoroughly characterized all of the new compounds with respect to their apoptosis-inducing activity and their effects on the cell cycle. One of the new derivatives, 13g, behaved differently from the others, as it was able to block the cell cycle in the G(0)-G(1) phas…

StereochemistryCellular differentiationFusion Proteins bcr-ablAntineoplastic AgentsApoptosis.ResveratrolResting Phase Cell CycleChemical synthesisStructure-Activity Relationshipchemistry.chemical_compoundLeukemia Promyelocytic AcuteCell Line TumorTerphenyl CompoundsTerphenylStilbenesDrug DiscoveryHumansStructure–activity relationshipATP Binding Cassette Transporter Subfamily B Member 1G1 PhaseCell DifferentiationCell cycleIn vitrochemistryDrug Resistance NeoplasmResveratrolCell cultureMolecular MedicineDrug Screening Assays AntitumorJournal of Medicinal Chemistry
researchProduct