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TOXICITY PREDICTION TOOLS FOR ENDOCRINE DISRUPTION
Citation:
PASQUINELLI, M., S. LITTLE, AND J. R. RABINOWITZ. TOXICITY PREDICTION TOOLS FOR ENDOCRINE DISRUPTION. Presented at 2006 Annual Society of Toxicology Meeting, San Diego, CA, March 05 - 09, 2006.
Impact/Purpose:
Experiments have shown that some classes of environmental chemicals act as agonists or antagonists of hormone receptors. We are developing a predictive tool using molecular modeling that can be used to screen for endocrine disrupting effects. This tool will aid the Agency in prioritizing data requirements for risk assessment. A key step is to determine whether these chemicals bind to hormone receptors, and if so, what the strength of the interaction is between the chemical and the receptor. Computational docking methods provide this type of insight. We can then study how this interaction impacts the function of the receptor and hence the toxicological mechanisms of these chemicals. A challenge for predictive methods in toxicology is the danger of false negatives.
Description:
A key step is to determine whether these chemicals bind to hormone receptors, and if so, what the strength of the interaction is between the chemical and the receptor