Ryu Young Bae, Curtis-Long Marcus J, Lee Ji Won, Ryu Hyung Won, Kim Jun Young, Lee Woo Song, Park Ki Hun
Bioindustry Technology and AI Control Biomaterial Research Center, KRIBB, Jeongeup, Republic of Korea.
Bioorg Med Chem Lett. 2009 Sep 1;19(17):4912-5. doi: 10.1016/j.bmcl.2009.07.098. Epub 2009 Jul 23.
The structural characteristics of flavonoids (1-3 and 6-8) from the root of Cudrania tricuspidata required for neuraminidase inhibition were studied and compared with commercially available flavonoids (4, 5, and 9-12). Alkylated flavanones (1-3) display better inhibition than the corresponding parent compound 4. Importantly, flavanone 1 bearing a C-8 hydrated prenyl group showed extremely high inhibition with IC(50) of 380 nM. On the other hand, the parent flavone 5 was more effective than alkylated analogues (6-8). Isolated inhibitors (1-3 and 6-8) showed noncompetitive inhibition in kinetic studies. The binding affinity of flavanones (1-4) for neuraminidase in in silico docking experiments correlated well with their IC(50) values and noncompetitive inhibition mode.
研究了柘树根中具有神经氨酸酶抑制作用的黄酮类化合物（1-3和6-8）的结构特征，并与市售黄酮类化合物（4、5和9-12）进行了比较。烷基化黄烷酮（1-3）的抑制作用比相应的母体化合物4更好。重要的是，带有C-8水合异戊烯基的黄烷酮1表现出极高的抑制作用，IC（50）为380 nM。另一方面，母体黄酮5比烷基化类似物（6-8）更有效。在动力学研究中，分离出的抑制剂（1-3和6-8）表现出非竞争性抑制作用。在计算机对接实验中，黄烷酮（1-4）对神经氨酸酶的结合亲和力与其IC（50）值和非竞争性抑制模式密切相关。
