Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II

doi:10.1007/s11426-008-0133-1

CORC > 昆明植物研究所 > 中国科学院昆明植物研究所 > 植物化学与西部植物资源持续利用国家重点实验室

	Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II
	HuoQiang, Huang 1,2; Pan XuLin 1; Ji ChangJiu 1,2; Zeng GuangZhi 1; Jiang LiHua 1; Fu Xiang 1; Liu JiKai 1; Hao XiaoJiang1 ; Zhang YingJun1 ; Tan NingHua 1
刊名	SCIENCE IN CHINA SERIES B-CHEMISTRY
	2009-03-01
卷号	52 期号:3 页码:332-337
关键词	Carbonic Anhydrase Ii Natural Inhibitors Screening Docking
ISSN号	1006-9291
DOI	10.1007/s11426-008-0133-1
文献子类	Article
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.
学科主题	Chemistry, Multidisciplinary
WOS关键词	CONFLUENS ; 3D-QSAR
WOS研究方向	Chemistry
语种	英语
WOS记录号	WOS:000264886800013
资助机构	National Natural Science Foundation of China [30725048]; Foundation of Chinese Academy of Sciences
公开日期	2011-12-19
内容类型	期刊论文
源URL	[http://ir.kib.ac.cn:8080/handle/151853/2917]
专题	昆明植物研究所_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
推荐引用方式 GB/T 7714	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.