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  • Title: Novel berberine derivatives: Design, synthesis, antimicrobial effects, and molecular docking studies.
    Author: Yao L, Wu LL, Li Q, Hu QM, Zhang SY, Liu K, Jiang JQ.
    Journal: Chin J Nat Med; 2018 Oct; 16(10):774-781. PubMed ID: 30322611.
    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.
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