Search results for "G-Quadruplexe"

showing 10 items of 68 documents

Recognition of G-quadruplex DNA by triangular star-shaped compounds: with or without side chains?

2011

International audience; We report the synthesis of two new series of triangular aromatic platforms, either with three aminoalkyl side chains (triazatrinaphthylene series, TrisK: six compounds), or without side chains (triazoniatrinaphthylene, TrisQ). The quadruplex-DNA binding behavior of the two series, which differ essentially by the localization of the cationic charges, was evaluated by means of FRET-melting and G4-FID assays. For the trisubstituted triazatrinaphthylenes (TrisK), the length of the substituents and the presence of terminal hydrogen-bond-donor groups (NH(2)) were shown to be crucial for ensuring a high quadruplex affinity (ΔT(1/2) values of up to 20 °C at 1 μM for the best…

Models MolecularStereochemistryIonic bonding010402 general chemistryG-quadruplexLigands01 natural sciencesCatalysischemistry.chemical_compoundStructure-Activity RelationshipHeterocyclic Compounds[CHIM] Chemical SciencesSide chainMoleculeStructure–activity relationship[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUSMolecular Structure010405 organic chemistryHydrogen bond[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic ChemistryGeneral Chemistry0104 chemical sciencesG-QuadruplexeschemistryAcridinesSelectivityAzo CompoundsDNAChemistry (Weinheim an der Bergstrasse, Germany)
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The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA

2017

The duplex and G-quadruplex DNA-binding of six nickel(II) and zinc(II) complexes of three salphen-like ligands (salphen = N,N?-bis-salicylidene-1,2-phenylenediaminato) was investigated by UV-visible absorption and circular dichroism spectroscopy. The results obtained, in particular the values of the DNA-binding constants, Kb, point out that the nickel(II) complexes show a higher affinity toward both duplex and G-quadruplex DNA, compared to the analogous zinc(II) complexes. Interestingly, the zinc(II) complexes possess high selectivity toward G-quadruplex DNA, being negligible their binding with duplex DNA. Molecular dynamics (MD) simulations provided atomistic models for the interpretation …

Circular dichroismComputational chemistryInorganic chemistryBinding constantchemistry.chemical_element-Zinc010402 general chemistryG-quadruplex01 natural sciencesBiochemistryInorganic Chemistrychemistry.chemical_compoundCoordination ComplexesNickelheterocyclic compoundsSchiff BasesSchiff baseG-quadruplex010405 organic chemistryDNABinding constant0104 chemical sciencesG-QuadruplexesNickelCrystallographyZincchemistryDuplex (building)Settore CHIM/03 - Chimica Generale E InorganicaDNA
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Characterization of Hydrophilic Gold(I) N-Heterocyclic Carbene (NHC) Complexes as Potent TrxR Inhibitors Using Biochemical and Mass Spectrometric App…

2017

We report here on the synthesis of a series of mono-and dinuclear gold(I) complexes exhibiting sulfonated bis(NHC) ligands and novel hydroxylated mono(NHC) Au(I) compounds, which were also examined for their 'biological activities. Initial cell viability assays show strong antiproliferative activities of the hydroxylated mono(NHC) gold compounds (8 > 9 > 10) against 2008 human ovarian cancer cells even after 1 h incubation. In order to gain insight into the mechanism of biological action of the gold compounds, their effect on the pivotal cellular target seleno-enzyme thioredoxin reductase (TrxR), involved in the maintenance of intracellular redox balance, was investigated in depth. Th…

Thioredoxin Reductase 1AuranofinSilverStereochemistryThioredoxin reductaseThioredoxin Reductase 2WATER-SOLUBLE RUTHENIUM(II)Antineoplastic Agents010402 general chemistryG-quadruplexLigandsIN-VITRO CYTOTOXICITYLIGANDS SYNTHESIS01 natural sciencesInorganic Chemistrychemistry.chemical_compoundDrug StabilityThioredoxin Reductase 1Coordination ComplexesTHIOREDOXIN REDUCTASE INHIBITIONCell Line TumormedicineOrganogold CompoundsAnimalsHumansCRYSTAL-STRUCTURESPhysical and Theoretical ChemistryCANCER CELLSBIOLOGICAL-PROPERTIES010405 organic chemistryChemistryMOLECULAR-MECHANISMSDNA0104 chemical sciencesRatsG-QuadruplexesGlutathione ReductaseSolubilityBiological targetCancer cellPLATINUM ANTICANCER DRUGSMETAL-COMPLEXESGoldReactive Oxygen SpeciesCarbeneHydrophobic and Hydrophilic InteractionsOrganogold Compoundsmedicine.drugInorganic Chemistry
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Antiproliferative properties and g-quadruplex-binding of symmetrical naphtho[1,2-b:8,7-b’]dithiophene derivatives

2021

Background: G-quadruplex (G4) forming sequences are recurrent in telomeres and promoter regions of several protooncogenes. In normal cells, the transient arrangements of DNA in G-tetrads may regulate replication, transcription, and translation processes. Tumors are characterized by uncontrolled cell growth and tissue invasiveness and some of them are possibly mediated by gene expression involving G-quadruplexes. The stabilization of G-quadruplex sequences with small molecules is considered a promising strategy in anticancer targeted therapy. Methods: Molecular virtual screening allowed us identifying novel symmetric bifunctionalized naphtho[1,2-b:8,7-b’]dithiophene ligands as interesting ca…

StereochemistryPharmaceutical ScienceAntineoplastic AgentsNaphthols010402 general chemistryG-quadruplex01 natural sciencesArticleAnalytical ChemistryHeLaProto-Oncogene Proteins c-mycchemistry.chemical_compoundSynthesisQD241-441Transcription (biology)H-TeloG-QuadruplexDrug DiscoveryC-MYCHumansheterocyclic compoundsPhysical and Theoretical ChemistryAntiproliferative effect; C-MYC; G-Quadruplex; H-Telo; Molecular docking; Planar heterocyclic scaffold; SynthesisCell ProliferationAntiproliferative effectVirtual screeningbiology010405 organic chemistryCell growthChemistryCytotoxinsOrganic Chemistrybiology.organism_classificationSmall moleculeSettore CHIM/08 - Chimica FarmaceuticaIn vitro0104 chemical sciencesG-QuadruplexesPlanar heterocyclic scaffoldChemistry (miscellaneous)Settore CHIM/03 - Chimica Generale E InorganicaMolecular dockingMolecular MedicineDNAHeLa Cells
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Intragenic G-quadruplex structure formed in the human CD133 and its biological and translational relevance.

2016

Cancer stem cells (CSCs) have been identified in several solid malignancies and are now emerging as a plausible target for drug discovery. Beside the questionable existence of CSCs specific markers, the expression of CD133 was reported to be responsible for conferring CSC aggressiveness. Here, we identified two G-rich sequences localized within the introns 3 and 7 of the CD133 gene able to form G-quadruplex (G4) structures, bound and stabilized by small molecules. We further showed that treatment of patient-derived colon CSCs with G4-interacting agents triggers alternative splicing that dramatically impairs the expression of CD133. Interestingly, this is strongly associated with a loss of C…

cancer stem cells0301 basic medicineDNA damageSettore BIO/11 - Biologia MolecolareTumor initiationBiologyG-quadruplex03 medical and health sciencesCancer stem cellAntigens CDCell Line TumorG-QuadruplexeGeneticsHumansNeoplasm InvasivenessAC133 AntigenGeneGlycoproteinsCell ProliferationSettore MED/04 - Patologia GeneraleNeoplasm InvasiveneG-quadruplexProtein BiosynthesiDrug discoveryGene regulation Chromatin and EpigeneticsAlternative splicingIntroncd133Molecular biologyG-QuadruplexesGene Expression Regulation Neoplastic030104 developmental biologyCell Transformation NeoplasticDrug Resistance NeoplasmProtein BiosynthesisPeptideNeoplastic Stem CellsCancer researchNeoplastic Stem CellSettore MED/46 - Scienze Tecniche Di Medicina Di LaboratorioGlycoproteinPeptidesHuman
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Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands

2015

Telomeres and telomerase are key players in tumorogenesis. Among the various strategies proposed for telomerase inhibition or telomere uncapping, the stabilization of telomeric G-quadruplex (G4) structures is a very promising one. Additionally, G4 stabilizing ligands also act over tumors mediated by the alternative elongation of telomeres. Accordingly, the discovery of novel compounds able to act on telomeres and/or inhibit the telomerase enzyme by stabilizing DNA telomeric G4 structures as well as the development of approaches efficiently prioritizing such compounds constitute active areas of research in computational medicinal chemistry and anticancer drug discovery. In this direction, we…

Quantitative structure–activity relationshipTelomeraseGeneral Chemical EngineeringDrug Evaluation PreclinicalQuantitative Structure-Activity RelationshipComputational biologyLibrary and Information SciencesBiologyG-quadruplexCrystallography X-RayLigandsMolecular Docking Simulationchemistry.chemical_compoundDrug DiscoveryHumansCell ProliferationGeneticsVirtual screeningMolecular StructureDrug discoveryQSARGeneral ChemistryFibroblastsTelomereComputer Science ApplicationsTelomereG-QuadruplexesMolecular Docking SimulationchemistryAcridinesDNAHeLa Cells
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A Model of Smart G-Quadruplex Ligand

2012

An unprecedented strategy to control the quadruplex- vs duplex-DNA selectivity of a ligand is reported. We designed a compound whose structure can rearrange when it interacts with a G-quadruplex, thereby controlling its affinity. Thus, the first "smart G-quadruplex ligand" is reported, since this ligand experiences a structural change in the presence of quadruplexes but not in the presence of duplexes, ensuring a high level of quadruplex selectivity.

Models Molecular0303 health sciencesMagnetic Resonance SpectroscopyDose-Response Relationship DrugStereochemistryLigandChemistryGeneral ChemistryNuclear magnetic resonance spectroscopy010402 general chemistryG-quadruplexLigands01 natural sciencesBiochemistryCatalysis0104 chemical sciencesG-QuadruplexesSmall Molecule Libraries03 medical and health sciencesColloid and Surface Chemistry[CHIM]Chemical Sciencesheterocyclic compoundsSelectivityComputingMilieux_MISCELLANEOUS030304 developmental biology
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Discovery of new G-quadruplex binding chemotypes

2013

We report here on the discovery and preliminary evaluation of a novel non-macrocyclic low molecular weight quadruplex-stabilizing chemotype. The lead compounds, based on a furan core, show high G-quadruplex stabilisation and selectivity as well as potent in vitro anti-proliferative activity.

Cell SurvivalAntineoplastic Agents010402 general chemistryG-quadruplex01 natural sciencesArticleCatalysis03 medical and health scienceschemistry.chemical_compoundCell Line TumorFuranMaterials ChemistryHumansheterocyclic compoundsFuransCell survival030304 developmental biologyG quadruplex binding0303 health sciencesG-quadruplexChemotypeChemistryCircular DichroismMetals and AlloysGeneral ChemistryCombinatorial chemistryIn vitro3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsG-QuadruplexesCeramics and CompositesSelectivityChem. Commun.
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Multitasking Water-Soluble Synthetic G-Quartets: From Preferential RNA-Quadruplex Interaction to Biocatalytic Activity

2013

Natural G-quartets, a cyclic and coplanar array of four guanine res- idues held together through a Watson- Crick/Hoogsteen hydrogen-bond net- work, have received recently much at- tention due to their involvement in G- quadruplex DNA, an alternative higher-order DNA structure strongly suspected to play important roles in key cellular events. Besides this, syn- thetic G-quartets (SQ), which artificial- ly mimic native G-quartets, have also been widely studied for their involve- ment in nanotechnological applications (i.e., nanowires, artificial ion channels, etc.). In contrast, intramolecular syn- thetic G-quartets (iSQ), also named template-assembled synthetic G-quar- tets (TASQ), have been…

StereochemistryGuanineSupramolecular chemistryDeoxyribozyme010402 general chemistryG-QuartetsG-quadruplex01 natural sciencesCatalysischemistry.chemical_compound[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUS010405 organic chemistryOrganic ChemistryWaterRNADNAGeneral Chemistry0104 chemical sciencesG-QuadruplexeschemistryIntramolecular forceBiocatalysisHeminRNAOxidation-ReductionDNA
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Porphyrin-Based Design of Bioinspired Multitarget Quadruplex Ligands

2014

Secondary nucleic acid structures, such as DNA and RNA quadruplexes, are potential targets for cancer therapies. Ligands that interact with these targets could thus find application as anticancer agents. Synthetic G-quartets have recently found numerous applications, including use as bioinspired G-quadruplex ligands. Herein, the design, synthesis and preliminary biophysical evaluation of a new prototype multitarget G-quadruplex ligand, (PNA)PorphySQ, are reported, where peptidic nucleic acid guanine ((PNA)G) was incorporated in the porphyrin-templated synthetic G-quartet (PorphySQ). Using fluorescence resonance energy transfer (FRET)-melting experiments, PorphySQ was shown to possess enhanc…

Models MolecularPeptide Nucleic AcidsGuaninePorphyrinsStereochemistryGuanineLigands010402 general chemistryG-quadruplex01 natural sciencesBiochemistryStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundDrug Discovery[CHIM]Chemical SciencesStructure–activity relationshipheterocyclic compoundsGeneral Pharmacology Toxicology and PharmaceuticsBinding siteComputingMilieux_MISCELLANEOUS030304 developmental biologyPharmacology0303 health sciencesBinding SitesChemistryLigandOrganic ChemistryDNA0104 chemical sciencesG-QuadruplexesFörster resonance energy transferNucleic acidNucleic Acid ConformationRNAMolecular MedicineDNAChemMedChem
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