Document Type
Article
Publication Date
6-2-2005
Publication Title
Bioorganic & Medicinal Chemistry
Abstract
The synthesis and biological evaluation of a series of 2-azole and 2-thioazole isoflavones as potential aromatase inhibitors are described. Differences in inhibitory activity of triazole and imidazole inhibitors are rationalized with density functional theory to expose a key difference in the electronic structure of these molecules. In addition, difference binding spectra of inhibitors to immunoaffinity-purified aromatase produces classical Type II spectra consistent with coordination of the nitrogen lone pair electrons to the aromatase P450 heme.
Recommended Citation
Hackett, John C.; Kim, Young Woo; Su, Bin; and Brueggemeier, Robert W., "Synthesis and Characterization of Azole Isoflavone Inhibitors of Aromatase" (2005). Chemistry Faculty Publications. 413.
https://engagedscholarship.csuohio.edu/scichem_facpub/413
Creative Commons License
This work is licensed under a Creative Commons Attribution-NonCommercial-No Derivative Works 4.0 International License.
DOI
10.1016/j.bmc.2005.03.050
Version
Postprint
Volume
13
Issue
12
Comments
This research was supported by a USAMRMC Breast Cancer Program grants Pre-doctoral Fellowship DMAD17-02-1-0529 (J.C.H.), DMAD17-99-1-9342 (Y.W.K.), and Idea Grant DMAD-17-00-1-0388 (R.W.B.). The authors are indebted to the Ohio Supercomputer Center for computational resources.