8-Chrysoeriol, a bioactive flavanoid, was firstly identified to bind directly to BCL-2 as BH3 mimetics by structure-based virtual ligand screening. And 3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2. The interaction between 8-Chrysoeriol and BCL-2 was further confirmed using Microscale Thermophoresis (MST) technique. Meanwhile, high expression level of antiapoptotic protein BCL-2 was detected in SW1990 pancreatic cancer cells and 8-Chrysoeriol showed obvious proapoptosis effect against SW1990 in vitro. Collectively, the results showed that 8-Chrysoeriol as a natural dietary product potentially targeting to BCL-2 could serve as a lead compound for SW1990 pancreatic cancer therapy.

通过基于结构的虚拟配体筛选，首先鉴定出8-Chrysoeriol，一种生物活性类黄酮，可以直接结合BCL-2作为BH3模拟物。3D对接模型揭示了8-Chrysoeriol靶向BCL-2的分子基础。使用Microscale Thermophoresis（MST）技术进一步证实了8-Chrysoeriol与BCL-2之间的相互作用。同时，在SW1990胰腺癌细胞中检测到了抗凋亡蛋白BCL-2的高表达水平，而8-Chrysoeriol在体外对SW1990具有明显的促凋亡作用。总的来说，结果表明8-胆固醇作为一种天然饮食产品，可能靶向BCL-2，可以作为SW1990胰腺癌治疗的先导化合物。