摘要/Abstract
摘要： 目的· 寻找新型（结构新、靶点新）单酰基甘油脂肪酶（monoacylglycerol lipase，MAGL）抑制剂。方法· 运用计算机辅助虚
拟筛选手段，通过合理的结构分析，再结合生物学评估的方法进行筛选。结果· 发现一系列天然黄酮类MAGL 抑制剂。其中化合物9
（槲皮素）对MAGL 的抑制活性最好，IC50 值达到了36 μmol/L。结论· 成功发现了一系列天然的黄酮类MAGL 抑制剂，有望为发现
新型的MAGL 抑制剂提供新的结构类型。
关键词: 单酰基甘油脂肪酶, 黄酮类化合物, 抑制剂
Abstract:
Objective · To discover and develop novel monoacylglycerol lipase (MAGL) inhibitors. Methods · Computational screening, rational structure analysis and biological assessment was used. Results · A series of natural flavonoid MAGL inhibitors were identified. Compound 9 (quercetin) presented the highest activity with an IC50 value of 36 μmol/L. Conclusion · Several natural flavonoid MAGL inhibitors were identified, which are expected to bring novel hits for discovery of MAGL inhibitors.
Key words: monoacylglycerol lipase, flavonoids, inhibitor
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