人端粒G-四链体结构是指端粒末端富含鸟嘌呤（G）的DNA 序列在一价阳离子（如K+和Na+）诱导下通过G碱基间Hoogsteen氢键连接形成的DNA二级结构。 能够稳定端粒G-四链体的配体通常为端粒酶抑制剂, 其可能成为抗肿瘤药物。 应用CD, FRET, NMR光谱方法第一次较全面地研究了一种木脂素衍生物, 紫玉兰素A （liliflorin A）与人端粒序列dGGG(TTAGGG)3G-四链体HTG21的相互作用, 采用分子对接技术进一步研究紫玉兰素A与人端粒序列dTAGGG(TTAGGG)3G-四链体HTG23的结合位点。 CD实验数据表明紫玉兰素A提高HTG21解链温度, FRET实验测得4.0 μmol·L-1紫玉兰素A可以将HTG21稳定温度提高3.2 ℃。 NMR实验结果表明, 加入紫玉兰素A三小时后HTG21核磁谱图出现明显变化。 分子对接结果表明紫玉兰素A结合到HTG23较宽沟槽上, 结合位点为G9, G10, G16和G17。 紫玉兰素A是第一个能够选择性稳定人端粒G-四链体HTG21的木脂素类衍生物配体。 实验结果为以人端粒G-四链体为靶点的抗肿瘤药物设计提供了新型候选化合物。

Human telomeric G-quadruplex is a four-stranded structure folded by guanines (G) via Hoogsteen hydrogen bonding. The ligands which stabilize the G-quadruplex are often telomerase inhibitors and may become antitumor agents. Here, the interaction between a lignan derivative liliflorin A and human telomeric sequence dGGG(TTAGGG)3G-quadruplex HTG21 were examined by CD, FRET, and NMR spectroscopic methods. In addition, Molecular Docking was used to study the binding of liliflorin A to dTAGGG(TTAGGG)3G-quadruplex HTG23. The CD data showed that liliflorin A enhanced HTG21 Tm. The Tm value of G-quadruplex was enhanced 3.2 ℃ by 4.0 μmol·L-1 liliflorin A in FRET. The NMR spectra of HTG21 showed vivid alteration after reacting with liliflorin A in 3 hours. Molecular Docking suggested liliflorin A bound to the wide groove of HTG23 at G9, G10, G16 and G17. Liliflorin A was the first lignan derivative that could stabilize HTG21 selectively and provided a new candidate for antitumor drug design targeting on human telomeric G-quadruplex.