Research Article

Computer-Aided Drug Discovery Identifies Alkaloid Inhibitors of Parkinson’s Disease Associated Protein, Prolyl Oligopeptidase

Figure 5

Left image displays superimposed metergoline-POP complex at 0, 25, and 49 ns. Right panel displays the enlarged view of Arg643 and metergoline while highlighting the distance between HH11 of Arg643 with O25 of metergoline at (a) 0 ns, (b) 25 ns, and (c) 49 ns.