SAR Studies to Assess the Risk of Breast Cancer Due to Environmental Estrogens
Abstract
Environmental estrogens have been implicated as etiological agents for breast cancer. This study 15 aimed at identifying mechanistic information regarding the estrogenicity and carcinogenicity of environmental estrogens through structure-activity relationship(SAR) and quantitative SAR (QSAR) modeling. To facilitate this investigation, the computer-based expert-system MULTICASE is used in addition to other molecular modeling techniques. Learning sets have been derived from bioassays designed to detect estrogenic chemicals. These databases include an in vitro estrogen competitive binding assay, an in vitro NCF-7 cell proliferation assay and a whole animal uterine weight increase assay (currently being derived). The SAIL and QSAR models derived from these databases are considered in conjuction with preexisting SAIL and QSAR models for rodent carcinogenicity as well as for other toxicological phenomena to identify features that are common to estrogenicity and carcinogenicity.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 01, 1999
- Accession Number
- ADA373974
Entities
People
- Albert R. Cunningham
Organizations
- University of Pittsburgh