Synthesis, in silico, and in vivo anti-inflammatory evaluation of 3ß-cinnamoyloxy substituted pregna-4,16-diene-6,20-diones derivatives.
J Biomol Struct Dyn
; 40(22): 12184-12193, 2022.
Article
em En
| MEDLINE
| ID: mdl-34468278
Pregnane derivatives have been studied mainly for their 5α-reductase activity. However, the anti-inflammatory activities of such compounds are still poorly explored. In the search for new anti-inflammatory agents, seven new pregnane derivatives 6a-g, with cinnamic acid esters at C-3 were prepared and fully characterized. The anti-inflammatory activity of compounds was assessed in TPA induced mice ear model. From them, compound 6 b was the most active to reduce edema, with an ED50 of 0.017 mg/ear. Also, Molecular Docking and Molecular Dynamics studies were performed to identify a potential molecular target related to the inflammatory process. The in vivo results suggest that 6 b could be a potent anti-inflammatory compound, while in silico studies suggest its interaction with some critical enzymes in the inflammatory response.
Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Edema
/
Anti-Inflamatórios
Limite:
Animals
Idioma:
En
Revista:
J Biomol Struct Dyn
Ano de publicação:
2022
Tipo de documento:
Article
País de afiliação:
Colômbia
País de publicação:
Reino Unido