Literature DB >> 8786417

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

M Recanatini1.   

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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Year:  1996        PMID： 8786417     DOI： 10.1007/bf00124467

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  10 in total

1.  Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

Authors:  R D Cramer; D E Patterson; J D Bunce
Journal:  J Am Chem Soc       Date:  1988-08-01       Impact factor: 15.419

Review 2.  Mechanism and inhibition of cytochrome P-450 aromatase.

Authors:  P A Cole; C H Robinson
Journal:  J Med Chem       Date:  1990-11       Impact factor: 7.446

3.  Structure-activity studies of non-steroidal aromatase inhibitors: the crystal and molecular structures of CGS 16949A and CGS 18320B.

Authors:  P Van Roey; K A Bullion; Y Osawa; L J Browne; R M Bowman; D G Braun
Journal:  J Enzyme Inhib       Date:  1991

4.  Structure-function relationships of human aromatase cytochrome P-450 using molecular modeling and site-directed mutagenesis.

Authors:  S Graham-Lorence; M W Khalil; M C Lorence; C R Mendelson; E R Simpson
Journal:  J Biol Chem       Date:  1991-06-25       Impact factor: 5.157

5.  Structure-activity relationships and binding model of novel aromatase inhibitors.

Authors:  M Lang; C Batzl; P Furet; R Bowman; A Häusler; A S Bhatnagar
Journal:  J Steroid Biochem Mol Biol       Date:  1993-03       Impact factor: 4.292

6.  Aromatase inhibitors: synthesis, biological activity, and binding mode of azole-type compounds.

Authors:  P Furet; C Batzl; A Bhatnagar; E Francotte; G Rihs; M Lang
Journal:  J Med Chem       Date:  1993-05-14       Impact factor: 7.446

7.  Molecular shape and QSAR analyses of a family of substituted dichlorodiphenyl aromatase inhibitors.

Authors:  P I Nagy; J Tokarski; A J Hopfinger
Journal:  J Chem Inf Comput Sci       Date:  1994 Sep-Oct

8.  Mutagenesis study at a postulated hydrophobic region near the active site of aromatase cytochrome P450.

Authors:  D Zhou; L L Cam; C A Laughton; K R Korzekwa; S Chen
Journal:  J Biol Chem       Date:  1994-07-29       Impact factor: 5.157

9.  A detailed molecular model for human aromatase.

Authors:  C A Laughton; M J Zvelebil; S Neidle
Journal:  J Steroid Biochem Mol Biol       Date:  1993-03       Impact factor: 4.292

10.  Fadrozole hydrochloride: a potent, selective, nonsteroidal inhibitor of aromatase for the treatment of estrogen-dependent disease.

Authors:  L J Browne; C Gude; H Rodriguez; R E Steele; A Bhatnager
Journal:  J Med Chem       Date:  1991-02       Impact factor: 7.446
  10 in total
  2 in total

1.  Molecular modeling of the intestinal bile acid carrier: a comparative molecular field analysis study.

Authors:  P W Swaan; F C Szoka; S Oie
Journal:  J Comput Aided Mol Des       Date:  1997-11       Impact factor: 3.686

Review 2.  Towards understanding aromatase inhibitory activity via QSAR modeling.

Authors:  Watshara Shoombuatong; Nalini Schaduangrat; Chanin Nantasenamat
Journal:  EXCLI J       Date:  2018-07-20       Impact factor: 4.068
  2 in total

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