CN: 32-1845/R
ISSN: 2095-6975
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YAO Ling, WU Ling-Ling, LI Qian, HU Qin-Mei, ZHANG Shu-Yuan, LIU Kang, JIANG Jian-Qin. Novel berberine derivatives: Design, synthesis, antimicrobial effects, and molecular docking studies[J]. 中国天然药物英文, 2018, 16(10): 774-781

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

YAO Ling, WU Ling-Ling, LI Qian, HU Qin-Mei, ZHANG Shu-Yuan, LIU Kang, JIANG Jian-Qin
School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, China
摘要:
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.
关键词:    Antimicrobial drugs    Berberine derivatives    Molecular docking    Topoisomerase II DNA gyrase    SAR   
收稿日期: 2018-05-28
JIANG Jian-Qin,Tel:13913982651,E-mail:njjjq@aliyun.com;LIU Kang,Tel:13912979427,E-mail:liukangcpu@aliyun.com
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