白藜芦醇低聚体对Fos/Jun分子作用的虚拟分析及其镇痛活性  

Virtual analysis of interaction of resveratrol oligomer with Fos/Jun and its analgesic activity in mice

作　　者：叶勇[1] 李铭洋[1] 郭亚[1] 

机构地区：[1]华南理工大学化学与化工学院制药工程系,广州510640

出　　处：《中国新药杂志》2014年第1期80-85,共6页Chinese Journal of New Drugs

基　　金：国家自然科学基金(81173646)

摘　　要：目的:探讨白藜芦醇低聚体对疼痛相关基因产物Fos/Jun的分子作用及其镇痛活性。方法:通过Discovery Studio分子对接软件模拟白藜芦醇不同聚合物与Fos/Jun分子的相互作用,并经小鼠脑室注射给药和热板法证实不同聚合物的镇痛作用。结果:白藜芦醇低聚物比单体对Fos/Jun分子的作用更强。单体至三聚体随聚合度增高,其作用加大,但四聚体作用减弱。白藜芦醇及其低聚体均有中枢镇痛作用,其镇痛效果大小与模拟的Fos/Jun作用强度一致。结论:白藜芦醇低度聚合有利于其中枢镇痛效果提高,这与活性基团和刚性结构增加有关。分子对接方法可用于对白藜芦醇低聚体镇痛活性的虚拟筛选。Objective： To investigate the interaction of resveratrol oligomer with pain-related gene product Fos/Jun and its analgesic activity in mice. Methods： The interaction of resveratrol oligomers with Fos/Jun mole- cules was simulated by Discovery studio software; the analgesic activity was measured by intracerebroventricular in- jection and hot plate test in mice. Results： Oligomer of resveratrol had stronger interaction with Fos/Jun than mon- omer, the effect increased with polymerizing degree from monomer to trimer, but decreased in tetramer. Resveratrol and its oligomers all had central analgesic effects in mice, and the level was in accordance with the strength of sim- ulated interaction with Fos/Jun. Conclusion ： Polymerization of resveratrol in low degree is helpful to its central an- algesic effect, which is attributed to the increase of active groups and rigid structure. Molecular docking method can be used to virtually screen the analgesic activity of resveratrol oligomers.

关 键 词：白藜芦醇 低聚体 FOS JUN 分子对接 镇痛 

分 类 号：R932[医药卫生—生药学]