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

作　　者：YAO Ling WU Ling-Ling LI Qian HU Qin-Mei ZHANG Shu-Yuan LIU Kang JIANG Jian-Qin 

机构地区：[1]School of Traditional Chinese Pharmacy,China Pharmaceutical University

出　　处：《Chinese Journal of Natural Medicines》2018年第10期774-781,共8页中国天然药物（英文版）

基　　金：supported by the Graduate Students Scientific Research Innovation Projects of Jiangsu Province(No.CXZZ11-0804);Students Training Innovation Program of China Pharmaceutical University(201810316155)

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-πstacked,π-cationic,andπ-anionic interactions were responsible for the strong binding of the compounds with the target protein-DNA complex.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-πstacked,π-cationic,andπ-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 

分 类 号：R284.3[医药卫生—中药学]