IR@PKUHSC  > 北京大学药学院
学科主题药学
Studies on log P, retention time and QSAR of 2-substituted phenylnitronyl nitroxides as free radical scavengers
Zhao, Ming; Li, Zheng; Wu, Yihui; Tang, Yu-Rong; Wang, Chao; Zhang, Ziding; Peng, Shiqi
关键词nitronyl nitroxide derivatives free radical scavenger log P log K QSAR molecular descriptors
刊名EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
2007-07-01
DOI10.1016/j.ejmech.2006.12.027
42期:7页:955-965
收录类别SCI
文章类型Article
WOS标题词Science & Technology
类目[WOS]Chemistry, Medicinal
研究领域[WOS]Pharmacology & Pharmacy
关键词[WOS]NITRONYL NITROXIDES ; SUBSTITUENT CONSTANTS ; TOPOLOGICAL INDEXES ; OXIDATIVE STRESS ; DISEASE ; CANCER ; DESIGN
英文摘要

As reported in our previous paper [Y Wu, L. Bi, W. Bi, Z. Li, M. Zhao, C. Wang, J. Ju, S. Peng, Bioorg. Med. Chem. 14 (2006) 5711-5720.], a series of novel 2-substituted nitronyl nitroxides were synthesized and characterized to show enhanced free radical scavenger properties. Here, the log P values and retention time (alternatively represented as log K) of these 20 compounds were determined by the shake-flask method and HPLC analysis, respectively. We found that the prediction of log P directly from the measured log K value can result in a high accuracy, thus the detertnination of time-consuming log P can be replaced by the simple HPLC analysis. Using the conventional Hansch method, the QSAR equations of these nitronyl nitroxides were established to predict their capability of trapping free radicals such as center dot NO, center dot H2O2, and center dot OH. Although the overall predictive accuracy is reasonable, it was found that the log P values for the compounds are not significantly related to their capability of trapping free radicals. Moreover, an improved QSAR analysis was performed by choosing new molecular descriptors generated from e-dragon server. The increased predictive accuracy suggests that these new QSAR models have practical application in screening new potential scavengers from the derivatives of 2-substituted phenylnitronyl nitroxides. (c) 2007 Elsevier Masson SAS. All rights reserved.

语种英语
WOS记录号WOS:000247992100008
引用统计
被引频次:21[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/60209
专题北京大学药学院
作者单位1.China Agr Univ, Coll Biol Sci, Beijing 100094, Peoples R China
2.Capital Med Univ, Coll Pharmaceut Sci, Beijing 100069, Peoples R China
3.Peking Univ, Coll Pharmaceut Sci, Beijing 100083, Peoples R China
推荐引用方式
GB/T 7714
Zhao, Ming,Li, Zheng,Wu, Yihui,et al. Studies on log P, retention time and QSAR of 2-substituted phenylnitronyl nitroxides as free radical scavengers[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2007,42(7):955-965.
APA Zhao, Ming.,Li, Zheng.,Wu, Yihui.,Tang, Yu-Rong.,Wang, Chao.,...&Peng, Shiqi.(2007).Studies on log P, retention time and QSAR of 2-substituted phenylnitronyl nitroxides as free radical scavengers.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,42(7),955-965.
MLA Zhao, Ming,et al."Studies on log P, retention time and QSAR of 2-substituted phenylnitronyl nitroxides as free radical scavengers".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 42.7(2007):955-965.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Zhao, Ming]的文章
[Li, Zheng]的文章
[Wu, Yihui]的文章
百度学术
百度学术中相似的文章
[Zhao, Ming]的文章
[Li, Zheng]的文章
[Wu, Yihui]的文章
必应学术
必应学术中相似的文章
[Zhao, Ming]的文章
[Li, Zheng]的文章
[Wu, Yihui]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

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。