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
de En
| WPRIM
| ID: wpr-773562
Bibliothèque 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.
Mots clés
Texte intégral:
1
Indice:
WPRIM
Sujet Principal:
Pharmacologie
/
Relation structure-activité
/
Bactéries
/
Berbérine
/
Conception de médicament
/
Chimie
/
Simulation de docking moléculaire
/
Champignons
/
Antibactériens
/
Antifongiques
langue:
En
Texte intégral:
Chinese Journal of Natural Medicines (English Ed.)
Année:
2018
Type:
Article