VEGFR-2酪氨酸激酶抑制剂的三维定量构效关系研究

伍小云; 张嘉杰; 吴曙光

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VEGFR-2酪氨酸激酶抑制剂的三维定量构效关系研究

研究论文 | 更新时间：2023-12-11

- VEGFR-2酪氨酸激酶抑制剂的三维定量构效关系研究
- Three Dimensional Quantitative Structure Activity Relationship of VEGFR-2 Tyrosine Kinase Inhibitors
- 中山大学学报(自然科学版)(中英文) 2010年49卷第1期页码：57-61
- 作者机构：
  
  南方医科大学药学院,广东,广州,510515
- 作者简介：
- 基金信息：
- DOI：
  中图分类号：
- 纸质出版日期：2010，
  
  网络出版日期：2010-1-25，
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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)(中英文), 2010,49(1):57-61.

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):57-61.
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)(中英文), 2010,49(1):57-61. DOI：

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):57-61. DOI：

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q2=0.681，回归系数r2=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。

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 q2 of 0681 and the relation noncross validated coefficient r2 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 structure modification of aminopyrazolopyridine diaryl urea VEGFR-2 tyrosine kinase inhibitors.

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

Keywords

three dimensional quantitative structure activity relationship (3D-QSAR)comparative molecular field analysis (CoMFA)aminopyrazolopyridine diaryl ureaVEGFR-2 tyrosine kinase inhibitors

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