An exploratory theoretical elucidation on the peroxyl-radical-scavenging mechanism and structure-activity relationship of nonsteroidal anti-inflammatory drugs
文献类型：期刊论文
| 作者 | Wang, LF; Song, YG; Zhang, XF; Liu, Y |
| 刊名 | Bioorganic & medicinal chemistry letters
 |
| 出版日期 | 2006-06-15 |
| 卷号 | 16期号:12页码:3241-3244 |
| 关键词 | Antioxidants Nsaids Dft Free radicals |
| ISSN号 | 0960-894X |
| DOI | 10.1016/j.bmcl.2006.03.054 |
| 通讯作者 | Liu, y() |
| 英文摘要 | The peroxyl-radical-scavenging mechanism of some nonsteroidal anti-inflammatory drugs (nsaids), namely tolmetin, ketorolac, indomethacin, acemetacin, and oxaprozin, is clarified by combined density functional theory (dft) calculations. it is revealed that h-atom-abstraction rather than electron transfer reaction is involved in the radical-scavenging process of these nsaids in polar aqueous solution. this seems contrary to the common viewpoint that the latter is predominant in polar media. the calculated results also show that h-atorn at c(beta) or c(gamma)) position is readily to be abstracted, and the lowest c-h bond dissociation enthalpy (bde) can qualitatively account for the activity difference for the five nsaids. (c) 2006 elsevier ltd. all rights reserved. |
| WOS关键词 | ELECTRON-TRANSFER MECHANISMS ; STEP HYDROGEN-TRANSFER ; ANTIOXIDANT ACTIVITY ; VITAMIN-E ; PHENOLIC ANTIOXIDANTS ; (+)-CATECHIN ; PHARMACOLOGY ; ASSAY |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry |
| WOS类目 | Chemistry, Medicinal ; Chemistry, Organic |
| 语种 | 英语 |
| WOS记录号 | WOS:000237763500033 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2378497 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Liu, Y |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Struct Chem Unstable & Stable Speci, Ctr Mol Sci, Inst Chem, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, LF,Song, YG,Zhang, XF,et al. An exploratory theoretical elucidation on the peroxyl-radical-scavenging mechanism and structure-activity relationship of nonsteroidal anti-inflammatory drugs[J]. Bioorganic & medicinal chemistry letters,2006,16(12):3241-3244. |
| APA | Wang, LF,Song, YG,Zhang, XF,&Liu, Y.(2006).An exploratory theoretical elucidation on the peroxyl-radical-scavenging mechanism and structure-activity relationship of nonsteroidal anti-inflammatory drugs.Bioorganic & medicinal chemistry letters,16(12),3241-3244. |
| MLA | Wang, LF,et al."An exploratory theoretical elucidation on the peroxyl-radical-scavenging mechanism and structure-activity relationship of nonsteroidal anti-inflammatory drugs".Bioorganic & medicinal chemistry letters 16.12(2006):3241-3244. |
入库方式： iSwitch采集
来源：中国科学院大学
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。