Structure–Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase
AbstractPolygala 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-β-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 q2 value of 0.613 and an r2 value of 0.997. The best CoMSIA model predicted a q2 value of 0.608 and an r2 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. View Full-Text
Scifeed alert for new publicationsNever miss any articles matching your research from any publisher
- Get alerts for new papers matching your research
- Find out the new papers from selected authors
- Updated daily for 49'000+ journals and 6000+ publishers
- Define your Scifeed now
Zhou, L.-Y.; Peng, J.-L.; Wang, J.-M.; Geng, Y.-Y.; Zuo, Z.-L.; Hua, Y. Structure–Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase. Molecules 2018, 23, 365.
Zhou L-Y, Peng J-L, Wang J-M, Geng Y-Y, Zuo Z-L, Hua Y. Structure–Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase. Molecules. 2018; 23(2):365.Chicago/Turabian Style
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, no. 2: 365.
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.