Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase

doi:10.3390/molecules23020365

	Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase
	Zhou, Ling-Yun 1,2; Peng, Jia-Le 3; Wang, Jun-Ming 1; Geng, Yuan-Yuan 1; Zuo, Zhi-Li3 ; Hua, Yan 1
	2018-02-01
发表期刊	MOLECULES
ISSN	1420-3049
卷号	23 期号:2 页码:365
摘要	Polygala plants contain a large number of xanthones with good physiological activities. In our previous work, 18 xanthones were isolated from Polygala crotalarioides. Extented study of the chemical composition of the other species Polygala sibirica led to the separation of two new xanthones-3-hydroxy-1,2,6,7,8-pentamethoxy xanthone (A) and 6-O-beta-D-glucopyranosyl-1,7-dimethoxy xanthone (C)-together with 14 known xanthones. Among them, some xanthones have a certain xanthine oxidase (XO) inhibitory activity. Furthemore, 14 xanthones as XO inhibitors were selected to develop three-dimensional quantitative structure-activity relationship (3D-QSAR) using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) models. The CoMFA model predicted a q(2) value of 0.613 and an r(2) value of 0.997. The best CoMSIA model predicted a q(2) value of 0.608 and an r(2) value of 0.997 based on a combination of steric, electrostatic, and hydrophobic effects. The analysis of the contour maps from each model provided insight into the structural requirements for the development of more active XO inhibitors.
关键词	Xanthone Xanthine Oxidase Inhibitors 3d-qsar Gout
DOI	10.3390/molecules23020365
语种	英语
WOS记录号	WOS:000426436300145
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/60444
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.Southwest Forestry Univ, Minist Educ, Key Lab Forest Resources Conservat & Use Southwes, Kunming 650224, Yunnan, Peoples R China 2.Wannan Med Coll, Sch Pharm, Anhui Prov Engn Res Ctr Polysaccharide Drugs, Wuhu 241002, Peoples R China 3.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resource West Chi, Kunming 650201, Yunnan, Peoples R China
推荐引用方式 GB/T 7714	Zhou, Ling-Yun,Peng, Jia-Le,Wang, Jun-Ming,et al. Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase[J]. MOLECULES,2018,23(2):365.
APA	Zhou, Ling-Yun,Peng, Jia-Le,Wang, Jun-Ming,Geng, Yuan-Yuan,Zuo, Zhi-Li,&Hua, Yan.(2018).Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase.MOLECULES,23(2),365.
MLA	Zhou, Ling-Yun,et al."Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase".MOLECULES 23.2(2018):365.

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