| Full text | |
| Author(s): |
Nascimento, Vanessa
[1]
;
Cordeiro, Pamella Silva
[1]
;
Arca, Massimiliano
[2]
;
Marini, Francesca
[3]
;
Sancineto, Luca
[3]
;
Braga, Antonio Luiz
[4]
;
Lippolis, Vito
[2]
;
Iwaoka, Michio
[5]
;
Santi, Claudio
[3]
Total Authors: 9
|
| Affiliation: | [1] Univ Fed Fluminense, Dept Quim Organ, Lab Sintese & Aplicacao Substancias Supramol & Or, Outeiro Sao Joao Batista S-N, BR-24020141 Niteroi, RJ - Brazil
[2] Univ Cagliari, Dipartimento Sci Chim & Geol, SS 554 Bivio Sestu, I-09042 Monserrato, CA - Italy
[3] Univ Perugia, Dept Pharmaceut Sci, Grp Catalysis Synth & Organ Green Chem, Via Liceo, I-06123 Perugia - Italy
[4] Univ Fed Santa Catarina, Labselen, Dept Quim, BR-88040900 Florianopolis, SC - Brazil
[5] Tokai Univ, Dept Chem, Sch Sci, Hiratsuka, Kanagawa 2591292 - Japan
Total Affiliations: 5
|
| Document type: | Journal article |
| Source: | NEW JOURNAL OF CHEMISTRY; v. 44, n. 22, p. 9444-9451, JUN 14 2020. |
| Web of Science Citations: | 0 |
| Abstract | |
DFT calculations performed on amidoaryldiselenides as electrophilic derivatives evidenced the presence of a prevalent SeMIDLINE HORIZONTAL ELLIPSISO 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 SeMIDLINE HORIZONTAL ELLIPSISN 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. (AU) | |
| FAPESP's process: | 14/50249-8 - Green chemistry: sustainable synthetic methods employing benign solvents, safer reagents, and bio-renewable feedstock |
| Grantee: | Arlene Gonçalves Corrêa |
| Support Opportunities: | Research Grants - Research Centers in Engineering Program |