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题名: Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II
作者: HuoQiang, Huang1, 2; Pan XuLin1; Ji ChangJiu1, 2; Zeng GuangZhi1; Jiang LiHua1; Fu Xiang1; Liu JiKai1; null(郝小江)1; null(张颖君)1; Tan NingHua1
刊名: SCIENCE IN CHINA SERIES B-CHEMISTRY
关键词: carbonic anhydrase II ; natural inhibitors ; screening ; docking
英文摘要: Carbonic anhydrase II (CA II) is an important enzyme complex with Zn(2+), which is involved in many physiological and pathological processes, such as calcification, glaucoma and tumorigenicity. In order to search for novel inhibitors of CA II, inhibition assay of carbonic anhydrase II was performed, by which seven natural phenolic compounds, including four phenolics (grifolin, 4-O-methyl-grifolic acid, grifolic acid, and isovanillic acid) and three flavones (eriodictyol, quercetin and puerin A), showed inhibitory activities against CA II with IC(50)s in the range of 6.37-71.73 mu mol/L. Grifolic acid is the most active one with IC(50) of 6.37 (mu)mol/L. These seven phenolic compounds were proved to be novel natural carbonic anhydrase II inhibitors, which were obtained in flexible docking study with GOLD 3.0 software. Results indicated that the aliphatic chain and polar groups of hydroxyl and carboxyl are important to their inhibitory activities, providing a new insight into study on CA II potent inhibitors.
出版日期: 2009-03-01
卷号: 52, 期号:3, 页码:332-337
DOI标识: 10.1007/s11426-008-0133-1
语种: 英语
ISSN号: 1006-9291
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内容类型: 期刊论文
URI标识: http://ir.kib.ac.cn/handle/151853/2917
Appears in Collections:植物化学与西部植物资源持续利用国家重点实验室_期刊论文

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作者单位: 1.Chinese Acad Sci, State Key Lab Phytochem & Plant Resources W China, Kunming Inst Bot, Kunming 650204, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

Recommended Citation:
HuoQiang, H; Pan, XL; Ji, CJ; Zeng, GZ; Jiang, LH; Fu, X; Liu, JK; Hao, XJ; Zhang, YJ; Tan, NH.Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II,SCIENCE IN CHINA SERIES B-CHEMISTRY,2009,52(3):332-337
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