【摘 要】
：
端锚聚合酶与细胞的癌变和衰老密切相关,被认为是细胞癌变机制和癌症治疗靶标研究的新热点.为寻找新型抗肿瘤化合物,实验采用计算机辅助的虚拟药物筛选,设计并合成苯并[f][1,
【机 构】
：
成都中医药大学药学院中药材标准化教育部重点实验室中药资源系统研究与开发利用省部共建国家重点实验室培育基地,四川省医学科学院.四川省人民医院电子科技大学附属医院个体化药物治疗四川省重点实验室,
论文部分内容阅读
端锚聚合酶与细胞的癌变和衰老密切相关,被认为是细胞癌变机制和癌症治疗靶标研究的新热点.为寻找新型抗肿瘤化合物,实验采用计算机辅助的虚拟药物筛选,设计并合成苯并[f][1,4]氧氮杂?酮类化合物12个,结构经~1H NMR、~13C NMR、HRMS确证.对合成化合物进行初步生物活性测试和构效关系阐释,部分化合物对肿瘤细胞显示抑制作用,其中3h对Hep-3B具有显著的活性,IC_(50)值为3.5μmol/L.
Tankyrase is closely related to cell carcinogenesis and senescence, and is regarded as a new hotspot in the research of cancer cell carcinogenesis and cancer therapy.In order to find novel antitumor compounds, the experiment uses computer-assisted virtual drug screening to design and synthesize benzo [ f] [1,4] oxazepinones were identified by 1H NMR, 13C NMR and HRMS. The preliminary bioassay and the structure-activity relationship of the synthesized compounds were elucidated. Some of the compounds showed obvious inhibitory effects on tumor cells 3h had significant activity on Hep-3B, and the IC 50 value was 3.5μmol / L.
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