中文摘要：

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.

英文摘要：

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 mod-eling 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.