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Comparative Study
. 1996 Feb;10(1):74-82.
doi: 10.1007/BF00124467.

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

M Recanatini  1
Affiliations
Comparative Study

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

M Recanatini. J Comput Aided Mol Des. 1996 Feb.

Abstract

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.

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References

    1. J Med Chem. 1990 Nov;33(11):2933-42 - PubMed
    1. J Steroid Biochem Mol Biol. 1993 Mar;44(4-6):399-407 - PubMed
    1. J Med Chem. 1993 May 14;36(10):1393-400 - PubMed
    1. J Chem Inf Comput Sci. 1994 Sep-Oct;34(5):1190-7 - PubMed
    1. J Med Chem. 1991 Feb;34(2):725-36 - PubMed

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