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

Figure 1

Molecular docking based intermolecular interactions. Upper panel (a–c) demonstrates hydrogen bond interactions of POP residues (blue) with (a) Ref1, (b) Ref2, and (c) metergoline. Lower panel (d–f) is the 2D representation of all the molecular interactions between POP and (d) Ref1, (e) Ref2, and (f) metergoline. Green dashed lines in upper and lower panel represent hydrogen bond. All the other dashed lines represent various types of π bonds. Light green colored spheres indicate the residues participating in van der Waals interactions.

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