Measurement of the Electron Density Distribution of Estrogens - A First Step to Advanced Drug Design
Abstract
It has been shown that the development of certain types of cancer can be hormone dependent. Estrogens, such as estradiol, have the ability to bind as ligands to the estrogen receptor in the first of many steps which could result in the activation or repression of genes critical in the mechanism of tumor growth. The principle objective of this proposal is to relate known biological reactions to physical properties such as point charges of atoms and the electrostatic potential. We are obtaining information about these electronic properties of estrogen derivatives from experimental determination of their electron density using high quality single crystal X-ray crystallography. During the past year, significant progress with three of the derivatives (17beta-estradiol 1/2/ MeOH, 17alpha estradiol 1/2/ H2O, and 17alpha-estradiol.urea) have been made. The completion of these, along with the other derivatives being studied within the research group should begin to provide a reasonable pool of data to begin the comparative studies. Continued effort must be made to crystallize more systems, collect data, and further increase the pool of data we have to refer to. This is necessary in order for us to reach our intended goal of developing a new method of advanced drug design.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 01, 2001
- Accession Number
- ADA396663
Entities
People
- A. A. Pinkerton
- Damon A. Parrish
Organizations
- University of Toledo