Synthesis, spectroscopic investigations (X-ray, NMR and TD-DFT), antimicrobial activity and molecular docking of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone.
Molecules
; 20(7): 13240-63, 2015 Jul 21.
Article
em En
| MEDLINE
| ID: mdl-26197312
The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be in good agreement with the experimental data obtained from the various spectrophotometric techniques. The antimicrobial activity and molecular docking of the synthesized compound was investigated.
Palavras-chave
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Bactérias
/
Proteínas de Bactérias
/
Proteínas Fúngicas
/
Cicloexanonas
/
Simulação de Acoplamento Molecular
/
Fungos
/
Antibacterianos
/
Antifúngicos
Idioma:
En
Ano de publicação:
2015
Tipo de documento:
Article