Division of Organic Chemistry, National Institute of Health Sciences, 3-25-26 Tonomachi, Kawasaki-ku, Kawasaki-shi, Kanagawa 210-9501, Japan.
Division of Organic Chemistry, National Institute of Health Sciences, 3-25-26 Tonomachi, Kawasaki-ku, Kawasaki-shi, Kanagawa 210-9501, Japan.
Bioorg Med Chem. 2018 Dec 15;26(23-24):6146-6152. doi: 10.1016/j.bmc.2018.11.008. Epub 2018 Nov 9.
Non-secosteroidal VDR ligands without any assymmetric carbon were designed and synthesized based on the structure of the previously reported non-secosteroidal VDR agonist LG190178. The VDR-agonistic activity of all synthesized compounds was evaluated, and 7b emerged as a potent agonist activity with an EC value of 9.26 nM. Moreover, a docking simulation analysis was also performed to determine the binding mode of 7b with VDR-LBD.
基于先前报道的非甾体类 VDR 激动剂 LG190178 的结构，设计并合成了不含任何手性碳原子的非甾体类 VDR 配体。评估了所有合成化合物的 VDR 激动活性，其中 7b 表现出较强的激动活性，EC 值为 9.26 nM。此外，还进行了对接模拟分析以确定 7b 与 VDR-LBD 的结合模式。
