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RESEARCH PRODUCT
Insight into the Mechanism of Action of Marine Cytotoxic Thiazinoquinones
Anna AielloMarialuisa MennaMaria SeneseGerardo Cebrián-torrejónAntonio Doménech-carbóCaterina FattorussoMarco PersicoPaola CiminoConcetta Imperatoresubject
Aquatic OrganismsMolecular modelStereochemistryBioactive natural products; Cytotoxic activity; DFT calculations; Electrochemistry; Reactive radical species; Thiazinoquinones; Animals; Electrochemistry; Quinones; Reactive Oxygen Species; Aquatic Organisms; Urochordata; Drug Discovery3003 Pharmaceutical ScienceThiazinoquinoneDFT calculationPharmaceutical Science02 engineering and technologyDFT calculationsElectrochemistry01 natural sciencesArticleAplidiumbioactive natural products; thiazinoquinones; electrochemistry; DFT calculations; reactive radical species; cytotoxic activityComputational chemistryDrug DiscoverymedicineAnimalsCytotoxic T cellUrochordataBioactive natural productlcsh:QH301-705.5Pharmacology Toxicology and Pharmaceutics (miscellaneous)Voltammetrycytotoxic activitychemistry.chemical_classificationReactive oxygen speciesbiology010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceQuinonesReactive radical specie021001 nanoscience & nanotechnologybiology.organism_classification0104 chemical scienceslcsh:Biology (General)electrochemistryMechanism of actionchemistryreactive radical speciesbioactive natural productsthiazinoquinonesDensity functional theorymedicine.symptomReactive Oxygen Species0210 nano-technologydescription
The electrochemical response of four natural cytotoxic thiazinoquinones isolated from the Aplidium species was studied using conventional solution-phase and solid-state techniques, based on the voltammetry of immobilized particles methodology. The interaction with O-2 and electrochemically generated reactive oxygen species (ROS) was electrochemically monitored. At the same time, a molecular modeling study including density functional theory (DFT) calculations was performed in order to analyze the conformational and electronic properties of the natural thiazinoquinones, as well as those of their reduced intermediates. The obtained electrochemical and computational results were analyzed and correlated to cytotoxic activity of these compounds, highlighting some features possibly related to their mechanism of action.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-11-02 | Marine Drugs |