Ohkura Kazuto, Kawaguchi Yuki, Tatematsu Yohei, Tabata Atsushi, Uto Yoshihiro, Hori Hitoshi
Graduate School of Pharmaceutical Sciences, Suzuka University of Medical Science, Suzuka, Japan
Faculty of Pharmaceutical Sciences, Chiba Institute of Science, Choshi, Japan.
Anticancer Res. 2018 Jul;38(7):4241-4245. doi: 10.21873/anticanres.12720.
BACKGROUND/AIM: Sugar molecules are often used as a tool to structurally modify chemical compounds. The features of synthesized sugar-conjugated TX-1877 derivatives were herein examined.
The molecular stabilities (reactivity) and hydrophobicities of sugar (e.g., monosaccharide and tetra-O-acetylated monosaccharide)-conjugated TXs were analyzed using a molecular simulation (e.g. molecular mechanics (MM) and molecular orbital (MO) analysis).
The hydrophobicities of TX-1877 derivatives were increased by tetra-O-acetylation, and TX-2244 exhibited the most potent radiosensitizing activity (enhancement ratio: ER=2.30).
The conformations and hydrophobicities of chemical compounds may be controlled by adding monosaccharide- and tetra-O-acetyl-conjugated sugars to TX-1877.
背景/目的：糖分子常被用作对化合物进行结构修饰的工具。本文研究了合成的糖缀合TX - 1877衍生物的特性。
使用分子模拟（如分子力学（MM）和分子轨道（MO）分析）分析糖（如单糖和四 - O - 乙酰化单糖）缀合TX的分子稳定性（反应性）和疏水性。
四 - O - 乙酰化增加了TX - 1877衍生物的疏水性，且TX - 2244表现出最强的放射增敏活性（增强比：ER = 2.30）。
通过向TX - 1877添加单糖和四 - O - 乙酰共轭糖，可以控制化合物的构象和疏水性。
