化学学报 ›› 2011, Vol. 69 ›› Issue (19): 2228-2234. 上一篇    下一篇

研究论文

泽泻醇类化合物与血清白蛋白相互作用的分子机理研究

徐飞1,张林群2,3,何立巍1,谷巍1,房方1,吴启南*,1,赵波*,4   

  1. (1南京中医药大学 南京210046)
    (2东南大学化学化工学院 南京211189)
    (3南京师范大学分析测试中心 南京210097)
    (4南京师范大学化学与环境科学学院 南京210097))
  • 收稿日期:2011-01-14 修回日期:2011-05-17 出版日期:2011-10-14 发布日期:2011-06-09
  • 通讯作者: 吴启南 E-mail:qnlxw@yahoo.com.cn
  • 基金资助:

    江苏省普通高校研究生科研创新计划;江苏省中医药局行业专项资助课题

Molecular Mechanism on the Interaction between Alisols and Human Serum Albumin

Xu Fei1 Zhang Linqun2,3 He Liwei1 Gu Wei1 Fang Fang1 Wu Qinan*,1 Zhao Bo*,4   

  1. (1 Nanjing University of Chinese Medicine, Nanjing 210046)
    (2 School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189)
    (3 Center for Analysis and Testing, Nanjing Normal University, Nanjing 210097)
    (4 College of Chemistry and Environmental Science, Nanjing Normal University, Nanjing 210097)
  • Received:2011-01-14 Revised:2011-05-17 Online:2011-10-14 Published:2011-06-09

中药泽泻具有抗肿瘤作用, 可能与血清中蛋白成分的改变有关. 利用荧光光谱、圆二色谱结合分子模拟技术研究了模拟生理条件下泽泻有效成分泽泻醇类化合物与人血清白蛋白的相互作用. 实验结果表明, 23-乙酰泽泻醇B与蛋白的结合作用远强于24-乙酰泽泻醇A. 分子模拟结果与实验一致, 并且表明, 结合强弱的差异与小分子的侧链结构有关. 该结果可为中药泽泻剂型研究、泽泻醇类化合物的抗肿瘤机制提供参考.

关键词: 23-乙酰泽泻醇B, 24-乙酰泽泻醇A, 荧光光谱, 圆二色谱, 分子模拟

The anti-tumor effect of Traditional Chinese Medicine Alisma may be related to the change of protein components in serum. The molecular interaction mechanism of Alisols with Human Serum Albumin (HSA) was investigated by fluorescence and circular dichroism spectra in combination with molecular modeling under the simulated physiological conditions in the paper. Molecular modeling results are in agreement with the experimental results revealed that the binding of Alisol B 23-acetate and HSA was much more stronger than that with Alisol A 24-acetate, indicating that the difference is related to the structure of the side chain. The conclusion should be of great assistant for studying formulations of Alisma and the anti-tumor mechanism.

Key words: alisol B 23-acetate, alisol A 24-acetate, fluorescence spectra, circular dichroism spectra, molecular modeling