Università degli Studi di Siena, Via a Moro 2, I-53100 Siena, Italy.
Bioorg Med Chem Lett. 2011 Sep 15;21(18):5255-8. doi: 10.1016/j.bmcl.2011.07.036. Epub 2011 Jul 19.
Trypanothione reductase (TryR) is one of the favorite targets for those designing drugs for the treatment of Chagas disease. We present the application of a fast virtual screening approach for designing hit compounds active against TryR. Our protocol combines information derived from structurally known inhibitors and from the TryR receptor structure. Five structurally diverse hit compounds active against TryR and holding promise for the treatment of Chagas disease are reported.
三磷酸鸟苷还原酶（TryR）是那些设计治疗恰加斯病药物的人的首选目标之一。我们介绍了一种快速虚拟筛选方法在设计针对 TryR 的有效化合物中的应用。我们的方案结合了来自结构已知抑制剂和 TryR 受体结构的信息。报道了五种对 TryR 具有活性的结构多样的有效化合物，它们有望用于治疗恰加斯病。
