Acta Chimica Sinica ›› 2003, Vol. 61 ›› Issue (3): 430-434. Previous Articles     Next Articles

Original Articles

表皮生长因子受体酪氨酸激酶抑制剂的药效团研究

彭涛;裴剑锋;周家驹   

  1. 中国科学院过程工程研究所
  • 发布日期:2003-03-15

Pharmacophore Analysis of Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitors

Peng Tao;Pei Jianfeng;Zhou Jiaju   

  1. Institute of Process Engineering,Chinese Academy of Sciences
  • Published:2003-03-15

A three-dimensional pharmacophore of epidermal growth factor receptor tyrosine kinase inhibitors was obtained based upon 3D-QSAR of a series of these inhibitors. The result was accordant with the pharmacophore model given by the scientists at Novartis. The pharmacophore included a hydrogen bond receptor, a hydrogen bond donor, a hydrophobic area and a phenyl ring with a chlorine or a bromine atom. This pharmacophore is very useful for clarifying the structure- activity relationships of EGFR tyrosine kinase inhibitors. Some lead compounds may be acquired through three-dimensional database searching.

Key words: TYROSINASE, INHIBITOR, QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP

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