Hagen, Timothy J.
B.A. (Bachelor of Arts)
Department of Chemistry and Biochemistry
MetAP 1 is a widespread enzyme found in Rickettsia prowazekii, a gram-negative bacteria that causes typhus and other diseases. As such, it is critical to find active sites of MetAP 1 on Rickettsia prowazekii in order to find inhibitors through protein-ligand binding for antibiotic drug candidacy and development. The program DockBlaster uses docking as a molecular modelling technique in order to predict the orientation of a ligand when binding to a protein. The PBD code for MetAP 1 (2B3H) from the RCSB database along with the corresponding ligand, glycerol (GOL), is submitted into DockBlaster. After virtual screening, it was determined that MetAP 1 has six pockets into which an inhibitor ligand can bind. In a future study, in vitro enzymatic assays for MetAP 1-inhibitor interactions will be conducted in order to screen for possible antibacterial activity
Wong, Aida Yukie, "Docking of MetAP 1 for Inhibitor Candidacy" (2015). Student Engagement Projects. 21.
Northern Illinois University
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