Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II
HuoQiang, Huang1,2; Pan XuLin1; Ji ChangJiu1,2; Zeng GuangZhi1; Jiang LiHua1; Fu Xiang1; Liu JiKai1; Hao XiaoJiang1; Zhang YingJun1; Tan NingHua1
2009-03-01
发表期刊SCIENCE IN CHINA SERIES B-CHEMISTRY
ISSN1006-9291
卷号52期号:3页码:332-337
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.
关键词Carbonic Anhydrase Ii Natural Inhibitors Screening Docking
学科领域Chemistry, Multidisciplinary
DOI10.1007/s11426-008-0133-1
收录类别SCI
语种英语
WOS记录号WOS:000264886800013
引用统计
文献类型期刊论文
条目标识符http://ir.kib.ac.cn/handle/151853/2917
专题植物化学与西部植物资源持续利用国家重点实验室
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
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HuoQiang, Huang,Pan XuLin,Ji ChangJiu,et al. Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2009,52(3):332-337.
APA HuoQiang, Huang.,Pan XuLin.,Ji ChangJiu.,Zeng GuangZhi.,Jiang LiHua.,...&Tan NingHua.(2009).Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II.SCIENCE IN CHINA SERIES B-CHEMISTRY,52(3),332-337.
MLA HuoQiang, Huang,et al."Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II".SCIENCE IN CHINA SERIES B-CHEMISTRY 52.3(2009):332-337.
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