| 两类促肾上腺皮质释放因子(CRF)抑制剂的CoMFA研究 |
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| 引用本文： | 郝艳丽,陈向阳,柯霞芳,巨修练.两类促肾上腺皮质释放因子(CRF)抑制剂的CoMFA研究[J].计算机与应用化学,2006,23(9):829-834. |
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| 作者姓名： | 郝艳丽 陈向阳 柯霞芳 巨修练 |
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| 作者单位： | 武汉化工学院化学与制药学院,湖北,武汉,430074;湖北省新型反应器与绿色化学工艺重点实验室,湖北,武汉;武汉化工学院计算机科学与工程学院,湖北,武汉,430074;武汉化工学院图书馆,湖北,武汉,430074 |
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| 基金项目： | 陕西省留学回国人员科研启动基金 |
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| 摘 要： | 采用比较分子场分析(comparative molecular field analysis,CoMFA)方法研究了两组促肾上腺皮质激素释放因子(cortico- tropin releasing factor,CRF)受体抑制剂的结构与活性关系。所得的CoMFA模型具有较好的稳定性和预报能力,q~2和r~2值分别为0．515和0．970。通过分析分子场等势图,可以直观地观察到分子周围的立体和静电特征对化合物特性的影响,为设计高活性CRF抑制剂提供了理论依据。
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| 关 键 词： | 促肾上腺皮质激素释放因子(CRF) 抑制剂 CoMFA |
| 文章编号： | 1001-4160（2006）09-829-834 |
| 收稿时间： | 2005-12-21 |
| 修稿时间： | 2005-12-212006-02-28 |
CoMFA studies of two sets of corticotropin releasing factor (CRF) receptor antagonists |
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| Hao Yanli,Chen Xiangyang,Ke Xiafang,Ju Xiulian.CoMFA studies of two sets of corticotropin releasing factor (CRF) receptor antagonists[J].Computers and Applied Chemistry,2006,23(9):829-834. |
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| Authors: | Hao Yanli Chen Xiangyang Ke Xiafang Ju Xiulian |
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| Abstract: | Comparative molecular field analysis(CoMFA)was performed on a series of corticotropin releasing factor(CRF)antago- nists,and the statistic results(q~2=0.515;r~2=0.970)indicate the stability and reasonable predictability of the derived model.The CoMFA study leads to the identification of the regions important for steric and electronic interaction.The model well explain the ob- served variance in the activity and also provide vital insight into structural variations that can lead to the design of new CRF antagonists with high activity. |
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| Keywords: | corticotropin releasing factor(CRF) antagonist CoMFA |
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