Docking Study, Synthesis and SAH-Hydrolase Inhibitory Activity of LAdeninylalanine and Related Analogues

docking simulations were performed on the open and the closed conformations of (S)-adenosyl-Lhomocysteine- hydrolase with a series of L-adeninylalanine analogues. Theoretical Ki values were calculated and compared to experimental Ki's, determined after enzymatic assay. These results suggest that the competitive inhibitors evaluated bind reversibly to the open form of SAH-hydrolase and do not induce the conformational transition to the closed conformation.