喹诺酮类化合物的合成、体外抗肿瘤活性与分子对接研究  

Synthesis,Antitumor Activity and Molecular Docking of Quinolone Derivatives

作　　者：李杰[1] 金懿[1] 吕延文[1] 许建帼[1] 

机构地区：[1]衢州学院化学与材料工程学院,浙江衢州324000

出　　处：《中国药学杂志》2016年第22期1913-1917,共5页Chinese Pharmaceutical Journal

基　　金：国家自然科学基金资助项目(21306104;21476128);浙江省教育厅科研项目(Y201329284)

摘　　要：目的研究新型喹诺酮类衍生物的合成方法及抗肿瘤活性。方法以环丙沙星结构为基础,采用基于片段的药物设计方法合成目标化合物,以MTT法测试目标化合物对A549、HL-60、Hela等肿瘤细胞的抑制活性。并运用Discovery Studio软件的Libdock模块对目标化合物进行分子对接研究。结果合成了8个新的目标化合物,体外均显示潜在的抗肿瘤活性。结论该类喹诺酮类衍生物的抗肿瘤活性值得进一步研究。OBJECTIVE To study the synthesis and antitumor activity of novel quinolone derivatives. METHODS Based on the structure of ciprofloxacin, the objective substances were designed and synthesized according to the principle of fragment- based drug discovery. Their anti-tumor activities in vitro were evaluated against A549, HL-60, and Hela cells by MTT assay. Molecular docking studies were performed with the Libdock protocol of Discovery Studio to afford the ideal interaction mode of the compound with the binding site of the Topo I . RESULTS Eight novel compounds were synthesized and showed potential an- titumor activities. CONCLUSION The antitumor activities of the synthesized quinolone derivatives are worthy of further study.

关 键 词：喹诺酮类化合物 抗肿瘤活性 分子对接 TOPO I抑制剂 

分 类 号：R97[医药卫生—药品]