Publication in refereed journal
香港中文大学研究人员 ( 现职)
| 周喜林教授 (药剂学院) |
全文
| 数位物件识别号 (DOI) http://dx.doi.org/10.2174/157018008786898536 |
引用次数
Web of Sciencehttp://aims.cuhk.edu.hk/converis/portal/Publication/7WOS source URL
其它资讯
摘要Molecular modeling of flavonoid/beta-cyclodextrin complexes was used for rationalization of (1)H-NMR data. We describe an algorithm that allows exact definition of the starting host-guest orientation. We used this algorithm to build complexes of two flavonoids, quercetin and myricetin. Subsequent molecular dynamics simulations yielded structures consistent with NMR data for the flavonoid position in the beta-cyclodextrin cavity.
着者Zheng Y, Chow AHL, Haworth IS
期刊名称LETTERS IN DRUG DESIGN & DISCOVERY
出版年份2008
月份12
日期1
卷号5
期次8
出版社Bentham Science Publishers
页次512 - 520
国际标準期刊号15http://aims.cuhk.edu.hk/converis/portal/Publication/70-1808
语言英式英语
关键词Cyclodextrins; Flavonoid; Inclusion complex; Molecular modeling; NMR Spectroscopy
Web of Science 学科类别Chemistry, Medicinal; CHEMISTRY, MEDICINAL; Pharmacology & Pharmacy
