| 柴胡-黄芩药对主要成分与环氧合酶-2的对接研究 |
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| 引用本文： | 仝艳,李晓飞,王宪龄,南颖康,张景亚,李朋伟.柴胡-黄芩药对主要成分与环氧合酶-2的对接研究[J].中国实验方剂学杂志,2013,19(11):148-151. |
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| 作者姓名： | 仝艳 李晓飞 王宪龄 南颖康 张景亚 李朋伟 |
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| 作者单位： | 1. 河南中医学院药学院,郑州,450008
2. 河南中医学院药学院,郑州 450008;南京大学化学化工学院,南京 210093 |
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| 基金项目： | 河南省自然科学基金课题(994021900);郑州市科技攻关项目(10PTGS486-5);河南省教育厅自然科学研究项目(2011B180036);河南中医学院博士科研基金(BSJJ2009-12) |
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| 摘 要： | 目的:用分子对接方法探讨柴胡-黄芩配伍治疗酒精性肝病和肝癌的作用靶点.方法:以环氧合酶-2(COX-2)为作用靶点,以柴胡和黄芩中主要活性成分柴胡皂苷A、柴胡皂苷D、黄芩苷、黄芩素为研究对象,采用分子对接方法研究柴胡与黄芩配伍抗酒精性肝损伤和肝癌的作用机制.结果:分子对接显示,柴胡与黄芩起作用的靶点不同.结论:柴胡皂苷A和柴胡皂苷D与COX-2没有相互作用；黄芩苷和黄芩素与COX-2均有很强的结合能力.
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| 关 键 词： | 柴胡 黄芩 配伍 分子对接 酒精性肝损伤 肝癌 |
| 收稿时间： | 2012/7/18 0:00:00 |
Molecular Docking Study on Constituents of Radix Bupleuri and Radix Scutellare and Cycloxygenase |
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| TONG Yan,LI Xiao-fei,WANG Xian-ling,NAN Ying-kang,ZHANG Jing-ya and LI Peng-wei.Molecular Docking Study on Constituents of Radix Bupleuri and Radix Scutellare and Cycloxygenase[J].China Journal of Experimental Traditional Medical Formulae,2013,19(11):148-151. |
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| Authors: | TONG Yan LI Xiao-fei WANG Xian-ling NAN Ying-kang ZHANG Jing-ya and LI Peng-wei |
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| Institution: | School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, China;School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, China;School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China;School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, China;School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, China;School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, China;School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, China |
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| Abstract: | Objective: Radix Bupleuri and Radix Scutellare in compatibility on liver injury induced by alcohol and hepatocellular carcinoma have been verified by experiments. Method: In this study, four active chemical components of Radix Bupleuri and Radix Scutellare were docked with cycloxygenase(COX-2), respectively. The binding mode and docking energy of those components with COX-2 were analyzed. Result and Conclusion: It has been found that saikosaponin A and saikosaponin D in Radix Bupleuri have no binding capability with COX-2 and baicalin and baicalein in Radix Scutellare have strong binding capability with COX-2. |
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| Keywords: | Radix Bupleuri Radix Scutellare compatibility molecular docking alcoholic liver injury hepatocellular carcinoma |
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