| VEGFR-2酪氨酸激酶抑制剂的三维定量构效关系研究 |
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| 引用本文： | 伍小云,张嘉杰,吴曙光. VEGFR-2酪氨酸激酶抑制剂的三维定量构效关系研究[J]. 中山大学学报(自然科学版), 2010, 49(1) |
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| 作者姓名： | 伍小云 张嘉杰 吴曙光 |
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| 作者单位： | 南方医科大学药学院,广东,广州,510515 |
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| 基金项目： | 广州市粤港关键领域重点突破资助项目 |
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| 摘 要： | 运用比较分子力场分析对28个氨基吡唑并吡啶二芳基脲类VEGFR-2酪氨酸激酶抑制剂进行了三维定量构效关系研究。所得CoMFA模型交叉验证系数q2=0.681，回归系数r2=0.958，统计方差比F=64.964，影响药效的立体场和静电场的贡献分别为65.7％和34.3％。CoMFA模型的三维等值图为化合物的结构改造提供了参考。
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| 关 键 词： | 三维定量构效关系 比较分子力场分析 氨基吡唑并吡啶二芳基脲类 VEGFR-2酪氨酸激酶抑制剂 |
| 收稿时间： | 2009-07-21; |
Three Dimensional Quantitative Structure Activity Relationship of VEGFR-2 Tyrosine Kinase Inhibitors |
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| WU Xiaoyun,ZHANG Jiajie,WU Shuguang. Three Dimensional Quantitative Structure Activity Relationship of VEGFR-2 Tyrosine Kinase Inhibitors[J]. Acta Scientiarum Naturalium Universitatis Sunyatseni, 2010, 49(1) |
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| Authors: | WU Xiaoyun ZHANG Jiajie WU Shuguang |
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| Affiliation: | WU Xiaoyun,ZHANG Jiajie,WU Shuguang(School of Pharmaceutical Sciences,Southern Medical University,Guangzhou 510515,China) |
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| Abstract: | The three dimensional structure activity relationship was studied on a series of aminopyrazolopyridine diaryl urea VEGFR-2 tyrosine kinase inhibitors by comparative molecular field analysis(CoMFA).The results indiated that the CoMFA model had a cross validated coefficient q2 of 0.681 and the relation non-cross validated coefficient r2 of 0.958.The F value was 64.964.The contributions of steric and electrostatic fields to the activity were 65.7% and 34.3%,respectively.The CoMFA model gave the basis on the st... |
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| Keywords: | three dimensional quantitative structure activity relationship (3D-QSAR) comparative molecular field analysis (CoMFA) aminopyrazolopyridine diaryl urea VEGFR-2 tyrosine kinase inhibitors |
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