Search results for "β-carboline"

showing 3 items of 3 documents

DNA damage photo-induced by chloroharmine isomers: hydrolysis versus oxidation of nucleobases

2018

Photodynamic therapy (PDT) is an emerging clinical treatment currently being used against a wide range of both cancerous and noncancerous diseases. The search for new active photosensitizers as well as the development of novel selective delivery systems are the major challenges faced in the application of PDT. We investigated herein three chloroharmine derivatives (6-, 8- and 6,8-dichloroharmines) with quite promising intrinsic photochemical tunable properties and their ability to photoinduce DNA damage in order to elucidate the underlying photochemical mechanisms. Data revealed that the three compounds are quite efficient photosensitizers. The overall extent of photo-oxidative DNA damage i…

DNA damagemedicine.medical_treatmentSubstituentPhotodynamic therapyAntineoplastic Agents010402 general chemistryRing (chemistry)01 natural sciencesBiochemistryNucleobase//purl.org/becyt/ford/1 [https]Hydrolysischemistry.chemical_compoundIsomerism//purl.org/becyt/ford/1.4 [https]medicineDNA Breaks Single-StrandedPhysical and Theoretical ChemistryPurine metabolismClinical treatmentPhotosensitizing Agents010405 organic chemistryHydrolysisOrganic ChemistryCiencias QuímicasCombinatorial chemistry0104 chemical sciencesHarmineQuímica OrgánicachemistryPhotochemotherapyβ-CarbolinesDNA damageChlorineOxidation-ReductionCIENCIAS NATURALES Y EXACTASDNA Damage
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Electronic structure of the ground and excited states of beta-carboline.

2008

Coupled-cluster calculations are used to compute the energy of conversion between the neutral and the zwitterionic forms of beta-carboline. The stability of the different species is discussed in terms of charge separation and aromatic character, which is related to magnetic criteria. By means of a linear response formalism the vertical excitation energies and oscillator strengths of the lowest singlet states of both structures as well as of the cationic species are determined. General agreement of the relative position and intensity of the different peaks with experimental data is achieved, but the overall spectra are slightly displaced because of solvent effects.

Models MolecularMolecular StructureChemistryβ-carbolineSpectrum Analysisground and excited statesAromaticityElectronsElectronic structureelectronic structureMolecular physicsAtomic and Molecular Physics and OpticsSpectral lineMagneticsComputational chemistryAb initio quantum chemistry methodsExcited stateSinglet statePhysical and Theoretical ChemistrySolvent effectsβ-carboline; electronic structure; ground and excited statesExcitationCarbolinesChemphyschem : a European journal of chemical physics and physical chemistry
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N-Methyl-β-carboline alkaloids: structure-dependent photosensitizing properties and localization in subcellular domains

2020

N-Methyl-β-carboline (βC) alkaloids, including normelinonine F (1b) and melinonine F (2b), have been found in a vast range of living species playing different biological, biomedical and/or pharmacological roles. Despite this, molecular bases of the mechanisms through which these alkaloids would exert their effect still remain unknown. Fundamental aspects including the photosensitizing properties and intracellular internalization of a selected group of N-methyl-βC alkaloids were investigated herein. Data reveal that methylation of the βC main ring enhances its photosensitizing properties either by increasing its binding affinity with DNA as a biomolecular target and/or by increasing its oxid…

media_common.quotation_subjectOrganic ChemistryN-Methyl-β-carbolineFísicaQuímicaMethylationMitochondrionalkaloidsSubcellular localizationBiochemistrychemistry.chemical_compoundchemistrymelinonine FBiophysicsPhysical and Theoretical ChemistryInner mitochondrial membranePurine metabolismInternalizationnormelinonine FDNAIntracellularmedia_commonOrganic & Biomolecular Chemistry
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