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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2003,Vol.19>> Issue(02)>> 163-166     doi: 10.3866/PKU.WHXB20030215         中文摘要
Three-dimensional Quantitative Structure-Activity Relationship Study of Tyrosine Kinase Inhibitors
Peng Tao;Pei Jian-Feng;Zhou Jia-Ju
Institute of Process Engineering, Chinese Academy of Sciences,Beijing 100080
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Three-dimensional quantitative structure-activity relationships of isoflavone and quinolone derivatives as tyrosine kinase inhibitors were studied using the flexible atom receptor model(FLARM) method. Some 3D-QSAR models were built with high correlation coefficients. The flexible atom receptor model also gives the pseudo receptor model, which indicates possible interactions between receptor and the ligand. The possible interactions between the ligand and the receptor in the pseudo receptor model are in accordance with those in the Novartis pharmacophore model.

Keywords: Tyrosine kinase inhibitor   3D-QSAR   Flexible atom receptor model  
Received: 2002-05-28 Accepted: 2002-07-10 Publication Date (Web): 2003-02-15
Corresponding Authors: Zhou Jia-Ju Email: jjzhou@lcc.icm.ac.cn


Cite this article: Peng Tao;Pei Jian-Feng;Zhou Jia-Ju. Three-dimensional Quantitative Structure-Activity Relationship Study of Tyrosine Kinase Inhibitors[J]. Acta Phys. -Chim. Sin., 2003,19 (02): 163-166.    doi: 10.3866/PKU.WHXB20030215
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