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

Table 1

Comparison of BBB permeability properties.

Properties	Ref1	Ref2	JTP-4819	Metergoline	Pipercallosine	Hookerianamide J	Lobeline
Molecular weight (Da)	344.5	384.5	359.185	403.517	329.433	442.677	337.455
logP	2.378	3.203	0.527	4.249	4.758	4.935	3.933
Polar surface area (Å^2)	65.92	65.92	89.94	46.5	47.56	52.57	40.54
Hydrogen bond donor	0	0	2	1	1	2	1
Hydrogen bond acceptor	3	3	4	3	3	3	3
N + O atoms	4	4	7	5	4	4	3