Submitted to: Trends in Analytical Chemistry
Publication Type: Peer Reviewed Journal
Publication Acceptance Date: 6/8/1998
Publication Date: N/A
Interpretive Summary: In these studies, computers were used to produce pictures or models of chemicals used in the production of antibodies to Nicarbazine, a drug used to control diseases in poultry. Antibodies are molecules that are found in the blood and they have the property that they can specifically bind other molecules such as drugs, bacteria or viruses. The pictures or models we developed assisted us in designing suitable antibodies to ultimately produce a rapid screening test for trace levels of the drug in poultry. Use of computer generated models is a cost effective, timely approach. These results will lead to improved ability to test for this drug in poultry and ultimately to a safer food supply.
Technical Abstract: Molecular modeling studies show differences in structural configuration and electrostatic potential isosurfaces that may explain why antibodies produced to a hydrazone derivative of 4,4'-dinitrocarbanilide (DNC) did not compete for DNC. Based on molecular models, haptens are suggested that appear to be adequate DNC-mimics for an immunogen and plate coating antigen.