Format

Send to

Choose Destination
Chin J Nat Med. 2018 Oct;16(10):774-781. doi: 10.1016/S1875-5364(18)30117-1.

Novel berberine derivatives: Design, synthesis, antimicrobial effects, and molecular docking studies.

Author information

1
School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, China.
2
School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, China. Electronic address: liukangcpu@aliyun.com.
3
School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, China. Electronic address: njjjq@aliyun.com.

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.

KEYWORDS:

Antimicrobial drugs; Berberine derivatives; Molecular docking; SAR; Topoisomerase II DNA gyrase

PMID:
30322611
DOI:
10.1016/S1875-5364(18)30117-1
[Indexed for MEDLINE]

Supplemental Content

Full text links

Icon for Elsevier Science
Loading ...
Support Center