University of Houston Molecular Medicine & Experimental Therapeutics: Craft Subgroup
::Cholera and AB5 Toxins
Our lab uses Molecular Dynamics Simulations and NMR as a tool for structure-based drug design for targeting the enzymatic domain A1 of Cholera. Cholera Toxin belongs to the AB5 toxin family, where the pentameric B5 subunit is responsible for the internalization of the toxin into the host cell,and the A subunit is the enzymatic domain. The A domain is composed of two regions, a A1 enzymatic domain and the helical A2 linker. We are also examining the protein-protein interfaces between A1/A2 and other binding partners and the mechanism of internalization and action of the toxin in the host cell.
Figure 1: Ribbon diagram of Cholera and Entrotoxin Tails
