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
in English
| WPRIM
| ID: wpr-773562
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.
Full text:
Available
Index:
WPRIM (Western Pacific)
Main subject:
Pharmacology
/
Structure-Activity Relationship
/
Bacteria
/
Berberine
/
Drug Design
/
Chemistry
/
Molecular Docking Simulation
/
Fungi
/
Anti-Bacterial Agents
/
Antifungal Agents
Language:
English
Journal:
Chinese Journal of Natural Medicines (English Ed.)
Year:
2018
Type:
Article
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