| 五味子素清除自由基构效关系的理论解释 |
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| 引用本文： | 孙友敏,张红雨.五味子素清除自由基构效关系的理论解释[J].淄博学院学报(自然科学与工程版),2001,3(2):76-80. |
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| 作者姓名： | 孙友敏 张红雨 |
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| 作者单位： | 山东师范大学!山东济南250014(孙友敏)，淄博学院!山东淄博255091(张红雨) |
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| 摘 要： | 五味子素是传统中药五味子的有效成分 ,包括 8种联苯环辛烯类木质素 .药理实验表明 ,五味子素有很强的抗氧化作用 ,不但可高效清除羟基自由基 (· OH)和超氧阴离子自由基 (O.- 2 ) ,还可有效保护细胞膜免受自由基损伤 .考虑到五味子及相关药物联苯双酯的广泛应用 ,从理论上阐释上述构效关系将有重要的理论意义和实用价值 ,并有可能设计出更有效的联苯环辛烯类抗氧化剂 .为此 ,本文用量子化学方法探讨了这一问题 .发现二氧甲基基团具有较大的 O原子负电荷及 C原子正电荷 ,且空间位阻较小 ,因此成为决定五味子素抗氧化活性的关键因素 .在此基础上 ,还构建了若干活性更高的联苯环辛烯类抗氧化剂
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| 关 键 词： | 五味子素 自由基 量子化学 抗氧化剂 中药 |
Theoretical Elucidation on Structure-activity Relationships of Dibenzocyclooctene Lignans to Scavenge Free Radicals |
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| SUN You min ,ZHANG Hong yu.Theoretical Elucidation on Structure-activity Relationships of Dibenzocyclooctene Lignans to Scavenge Free Radicals[J].Journal of Zibo University(Natural Sciences and Engineering),2001,3(2):76-80. |
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| Authors: | SUN You min ZHANG Hong yu |
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| Institution: | SUN You min 1,ZHANG Hong yu 2 |
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| Abstract: | Dibenzocyclooctene lignans (DCLs) have strong free radical scavenging activity. To elucidate their structure-activity relationships (SAR), quantum chemical method was employed to calculate the theoretical parameters of eight DCLs. And it was found that dioxo-methyl group was a key factor to determine the antioxidant activity of DCLs, because its O and C had rather high net charge and its steric hindrance was rather low. Consequently, several novel DCLs with higher activity had been constructed theoretically. |
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| Keywords: | dibenzocyclooctene lignans free radical antioxidant quantum chemical calculation |
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