| Autor: |
Luca Sancineto, Massimiliano Arca, Antonio L. Braga, Vanessa Nascimento, Michio Iwaoka, Francesca Marini, Vito Lippolis, Pâmella da Silva Cordeiro, Claudio Santi |
| Jazyk: |
angličtina |
| Rok vydání: |
2020 |
| Předmět: |
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| Zdroj: |
New Journal of Chemistry |
| Popis: |
DFT calculations performed on amidoaryldiselenides as electrophilic derivatives evidenced the presence of a prevalent Se⋯O weak interaction when selenium is bonded to a Se atom (diselenides), a Br atom (selenenyl bromide) and an O atom (selenenic acid), while for selenenyl iodide derivatives, a prevalent contribution of the Se⋯N interaction was predicted. This in silico observation has been experimentally exploited for the efficient synthesis of a small library of N-substituted benzoisoselenazol-3(2H)-ones and benzoisothiazol-3(2H)-ones considering the pharmacological relevance of ebselen recently reported also as an antiviral agent against Sars-Cov2. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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