ANTIDIOXIN MONOCLONAL-ANTIBODIES - MOLECULAR MODELING OF CROSS-REACTIVE CONGENERS AND THE ANTIBODY COMBINING SITE

A series of modeling experiments were undertaken to help clarify the factors controlling binding of a set of monoclonal antibodies that bind polychlorinated dibenzo-p-dioxins. Minimum energy conformations were generated for a number of polychlorinated dibenzo-p-dioxins, furans and PCBs congeners. These models suggest that antibody binding is a complex process but that the size, position of chlorines and planarity of the molecules are critical for antibody binding. Similar experiments with the hapten used to generate these antibodies suggest that both structural and alterations introduced in order to facilitate conjugation to carrier protein are recognized by the antibodies. The amino acid sequence for these antibodies also is presented as well as models of the antibody combining site.