Pyronaridine, tilorone and quinacrine were recently identified by a machine learning model and demonstrated in vitro and in vivo activity against Ebola virus (EBOV) and represent viable candidates for drug repurposing. These drugs were docked into the crystal structure of the ebola glycoprotein and then experimentally validated in vitro to generate Kd values for tilorone (0.73 μM) pyronaridine (7.34 μM), and quinacrine (7.55 μM). These are more potent than the previously reported toremifene (16 μM).

中文翻译：

---

迈向目标：与埃博拉病毒糖蛋白结合的替洛龙，奎纳克林和吡咯烷

最近通过机器学习模型鉴定了吡咯烷，吡咯烷酮和奎纳克林，并证明了它们对埃博拉病毒（EBOV）的体外和体内活性，它们代表了重新利用药物的可行性。这些药物停靠在埃博拉糖蛋白的晶体结构中，然后在体外进行实验验证，以生成替罗酮（0.73μM）吡咯烷（7.34μM）和奎纳克林（7.55μM）的Kd值。它们比以前报道的托瑞米芬（16μM）更有效。