| 六种天然抗氧化剂活性的理论评价 |
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| 引用本文： | 王兰芬,孙振令,张红雨.六种天然抗氧化剂活性的理论评价[J].山东理工大学学报,2003,17(4):13-17. |
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| 作者姓名： | 王兰芬 孙振令 张红雨 |
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| 作者单位： | [1]山东师范大学化学系，山东济南250014 [2]山东理工大学生命科学学院，山东淄博255049 |
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| 基金项目： | 国家自然科学基金(30100035) |
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| 摘 要： | 用DFT和AMI结合的量子化学方法计算了六种天然抗氧化剂灯盏花乙素、芦丁、葛根素、黄芩甙、灯盏花甲素、焦袂康酸的O-H键解离焓和电离势，并以此为理论指标评价了其抗氧化活性。发现在极性和非极性溶剂中，灯盏花乙素均具有较强的清除自由基活性，提示可作为治疗缺血性脑中风、冠心病、心绞痛等疾病的有效成份。
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| 关 键 词： | 天然抗氧化剂 抗氧化活性 结构-活性关系 密度泛函理论 半经验量子化学方法 DFT AMI 中药 药理学 |
| 文章编号： | 1007-1857(2003)04-0013-05 |
| 修稿时间： | 2003年4月16日 |
Theoretical Evaluation of Activity of Six Natural Antioxidants |
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| WANG Lan-fen,SUN Zhen-ling,ZHANG Hong-yu.Theoretical Evaluation of Activity of Six Natural Antioxidants[J].Journal of Shandong University of Technology:Science and Technology,2003,17(4):13-17. |
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| Authors: | WANG Lan-fen SUN Zhen-ling ZHANG Hong-yu |
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| Abstract: | A kind of combined quantum chemistry method (DFT/AM1) is employed to calculate O-H bond dissociation enthalpies (BDEs) and ionization potentials (IPs) of six natural antioxidants, i. e. , scutellarin, rutin, puerarin, baicalin, breviscapine A, and pyromeconic acid, by which their antioxidant activities are evaluated. It was found that in polar and non-polar solvents scutellarin would be rather active to scavenge free radicals, suggesting that it had great potential to be developed as efficient drugs to treat cerebral ischemic stroke, coronary artery disease and angina pectoris. |
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| Keywords: | natural antioxidant structure-activity relationship density functional theory AM1 |
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