About: Selenylated-oxadiazoles as promising DNA intercalators: Synthesis, electronic structure, DNA interaction and cleavage

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About: Selenylated-oxadiazoles as promising DNA intercalators: Synthesis, electronic structure, DNA interaction and cleavage Goto Sponge NotDistinct Permalink

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type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Selenylated-oxadiazoles as promising DNA intercalators: Synthesis, electronic structure, DNA interaction and cleavage
Creator	Bechtold, Ivan Bellettini, Ismael Farias, Giliandro Gastaldon, Francine Pich, Claus Rafique, Jamal Saba, Sumbal Scheide, Marcos Zapp, Eduardo Andrey, Cristian De Campos Braga, Hugo De Campos Braga, Junior De Souza, Monteiro Elias, Tiago Fernando, Luiz Frizon, Allievi Frizon, T Monteiro De Souza, David Mr, Scheide Neto Josésebastiã, Santos Neto, Santos Rafique, J Ribeiro, Belchior Saba, S Salla, Momoli Sebastião, José
Source	Elsevier; Medline; PMC
abstract	Abstract A series of selenylated-oxadiazoles were prepared and their interaction with DNA was investigated. The photophysical studies showed that all the selenylated compounds presented absorption between 270 and 329 nm, assigned to combined n→π* and π→π* transitions, and an intense blue emission (325–380 nm) with quantum yield in the range of Φ F = 0.1–0.4. DFT and TD-DFT calculations were also performed to study the likely geometry and the excited state of these compounds. Electrochemical studies revealed the ionization potential energies (−5.13 to −6.01 eV) and electron affinity energies (−2.25 to −2.83 eV), depending directly on the electronic effect (electron-donating or electron-withdrawing) of the substituent attached to the product. Finally, the UV–Vis DNA interaction experiments indicated that the compounds can interact with the DNA molecule due to intercalation, except for 3g (which interacted via electrostatic interaction). Plasmid cleavage assay presented positive results only for 3f that presented the strongest interaction results. These results made the tested selenylated-oxadiazoles as suitable structures for the development of drugs and the design of structurally-related therapeutics.
has issue date	2020-05-07(xsd:dateTime)
bibo:doi	10.1016/j.dyepig.2020.108519
bibo:pmid	32382200
has license	els-covid
sha1sum (hex)	1be8141a6f0b9e8fb0719df9655889937d4ecbe5
schema:url	https://doi.org/10.1016/j.dyepig.2020.108519
resource representing a document's title	Selenylated-oxadiazoles as promising DNA intercalators: Synthesis, electronic structure, DNA interaction and cleavage
has PubMed Central identifier	PMC7204724
has PubMed identifier	32382200
schema:publication	Dyes Pigm
resource representing a document's body	covid:1be8141a6f0b9e8fb0719df9655889937d4ecbe5#body_text
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