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Acta Phys. -Chim. Sin.  2003, Vol. 19 Issue (02): 163-166    DOI: 10.3866/PKU.WHXB20030215
Note     
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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Abstract  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.

Key wordsTyrosine kinase inhibitor      3D-QSAR      Flexible atom receptor model     
Received: 28 May 2002      Published: 15 February 2003
Corresponding Authors: Zhou Jia-Ju     E-mail: 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. Acta Phys. -Chim. Sin., 2003, 19(02): 163-166.

URL:

http://www.whxb.pku.edu.cn/10.3866/PKU.WHXB20030215     OR     http://www.whxb.pku.edu.cn/Y2003/V19/I02/163

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