Novel berberine derivatives: Design, synthesis, antimicrobial effects, and molecular docking studies / 中国天然药物
Chinese Journal of Natural Medicines (English Ed.)
; (6): 774-781, 2018.
Article
en En
| WPRIM
| ID: wpr-773562
Biblioteca responsable:
WPRO
ABSTRACT
A series of berberine derivatives were synthesized by introducing substituted benzyl groups at C-9. All these synthesized compounds (4a-4m) were screened for their in vitro antibacterial activity against four Gram-positive bacteria and four Gram-negative bacteria and evaluated for their antifungal activity against three pathogenic fungal strains. All these compounds displayed good antibacterial and antifungal activities, compared to reference drugs including Ciprofloxacin and Fluconazole; Compounds 4f, 4g, and 4l showed the highest antibacterial and antifungal activities. Moreover, all the synthesized compounds were docked into topoisomerase II-DNA complex, which is a crucial drug target for the treatment of microbial infections. Docking results showed that H-bond, π-π stacked, π-cationic, and π-anionic interactions were responsible for the strong binding of the compounds with the target protein-DNA complex.
Palabras clave
Texto completo:
1
Base de datos:
WPRIM
Asunto principal:
Farmacología
/
Relación Estructura-Actividad
/
Bacterias
/
Berberina
/
Diseño de Fármacos
/
Química
/
Simulación del Acoplamiento Molecular
/
Hongos
/
Antibacterianos
/
Antifúngicos
Idioma:
En
Revista:
Chinese Journal of Natural Medicines (English Ed.)
Año:
2018
Tipo del documento:
Article