Bio-Organic Science Division, Korea Research Institute of Chemical Technology, Yuseong-gu, Daejeon, South Korea.
Bioorg Med Chem Lett. 2011 Mar 15;21(6):1617-20. doi: 10.1016/j.bmcl.2011.01.120. Epub 2011 Feb 2.
In this work, we tried to find a new scaffold for a PDE3 using virtual screening for the obesity treatment. We first analyzed structural features for the known PDE3 inhibitors based on the PDE3B-ligand complex structure, and then carried out a docking study based on PDE3B 3D structure. We obtained a compound as potent PDE3 inhibitor stimulating lipolysis in murine adipocytes and human adipocytes.
在这项工作中，我们试图通过虚拟筛选为肥胖症治疗寻找一种新的 PDE3 支架。我们首先根据 PDE3B-配体复合物结构分析了已知 PDE3 抑制剂的结构特征，然后基于 PDE3B 的 3D 结构进行了对接研究。我们得到了一种化合物，它作为有效的 PDE3 抑制剂，能够刺激小鼠脂肪细胞和人脂肪细胞的脂肪分解。
