Search results for "electronic circular dichroism"

showing 2 items of 2 documents

Forever Young: Structural Stability of Telomeric Guanine Quadruplexes in the Presence of Oxidative DNA Lesions**

2021

International audience; Human telomeric DNA, in G-quadruplex (G4) conformation, is characterized by a remarkable structural stability that confers it the capacity to resist to oxidative stress producing one or even clustered 8-oxoguanine (8oxoG) lesions. We present a combined experimental/computational investigation, by using circular dichroism in aqueous solutions, cellular immunofluorescence assays and molecular dynamics simulations, that identifies the crucial role of the stability of G4s to oxidative lesions, related also to their biological role as inhibitors of telomerase, an enzyme overexpressed in most cancers associated to oxidative stress.

Circular dichroismTelomeraseOxidative phosphorylation010402 general chemistryImmunofluorescencemedicine.disease_cause01 natural scienceselectronic circular dichroismCatalysis[SPI.AUTO]Engineering Sciences [physics]/Automaticchemistry.chemical_compoundmedicineHumansimmunofluorescenceTelomerasechemistry.chemical_classificationmedicine.diagnostic_test010405 organic chemistryCircular DichroismOrganic ChemistryDNAGeneral ChemistryTelomeremolecular dynamics0104 chemical sciences3. Good healthG-QuadruplexesOxidative StressEnzymeBiochemistrychemistrySettore CHIM/03 - Chimica Generale E InorganicaGuanine quadruplexesNucleic Acid Conformationoxidative DNA lesionsGuanine-QuadruplexesDNAOxidative stress
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VCD studies on cyclic peptides assembled from L-α-amino acids and a trans-2-aminocyclopentane- or trans-2-aminocyclohexane carboxylic acid.

2010

The increasing interest in peptidomimetics of biological relevance prompted us to synthesize a series of cyclic peptides comprising trans-2-aminocyclohexane carboxylic acid (Achc) or trans-2-aminocyclopentane carboxylic acid (Acpc). NMR experiments in combination with MD calculations were performed to investigate the three-dimensional structure of the cyclic peptides. These data were compared to the conformational information obtained by electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectroscopy. Experimental VCD spectra were compared to theoretical VCD spectra computed quantum chemically at B3LYP/6-31G(d) density functional theory (DFT) level. The good agreem…

Circular dichroismCyclohexanecarboxylic AcidsPeptidomimeticStereochemistryCarboxylic acidMolecular ConformationMolecular Dynamics SimulationBiochemistryelectronic circular dichroismPeptides CyclicMolecular dynamicsStructural BiologyDrug DiscoveryCycloleucineMolecular BiologyNuclear Magnetic Resonance BiomolecularPharmacologychemistry.chemical_classificationCyclohexylaminesCircular DichroismOrganic Chemistrycyclic peptidestrans-2-aminocyclopentaneGeneral Medicinevibrational circular dichroismCyclic peptideNMRAmino acidtrans-2-aminocyclohexane carboxylic acidchemistryVibrational circular dichroismMolecular MedicineDensity functional theorycarboxylic acidPeptidomimeticsJournal of peptide science : an official publication of the European Peptide Society
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