D-QSAR Inhibition Model for hASBT using glutamyl-CDCA Conjugates

s for Poster Presentations at the 2nd Annual Mid-Atlantic Frontiers at the Chemistry-Biology Interface Symposium, May 2, 2009 P1. Electrophilic Aromatic Selenylation Mohannad Abdo, Spencer Knapp Rutgers The State University of New Jersey Seleninic acids can serve as biomimetic functionality that reacts irreversibly with enzyme active site nucleophiles such as sulfhydryls. We find that seleninic acid adds to electron rich aromatic and heteroaromatic rings to form the aryl selenoether, which in turn can be oxidized to the corresponding selenoxide or selenone. Se-dealkylation leads to the seleninate. These compounds are potential inhibitors of enzymes such as orotate phosphoribosyl transferase and thymidylate synthetase.