Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole

被引:27
作者
Recanatini, M
机构
[1] Department of Pharmaceulical Sciences, University of Bologna, I-40126 Bologna
关键词
3D QSAR; cytochrome P-450; antiestrogens;
D O I
10.1007/BF00124467
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
A series of non-steroidal inhibitors of aromatase, structurally related to fadrozole (2), was investigated with the aim of developing a 3D QSAR model using the Comparative Molecular Field Analysis (CoMFA) technique. The alignment of the molecules was performed following two approaches (atom-by-atom and field fit). both starting from an initial hypothesis of superimposition of fadrozole to a steroidal inhibitor (3). From a number of CoMFA models built with different characteristics. one was recognized as the most statistically relevant: this one is discussed in detail. The features of the 3D QSAR model are consistent with those of other 3D and QSAR models of aromatase and its inhibitors.
引用
收藏
页码:74 / 82
页数:9
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