Fig 3. Bioinformatic predictions of lotus phytochemicals.
X axis = number of unique predicted targets, as predicted by SEA. Each unique target included all affinity classes. Y axis = prediction of blood brain barrier penetration using the online blood-brain barrier prediction (BBB) server [17] (http://www.cbligand.org/BBB/). Higher values are predicted to pass the blood brain barrier. Size of circles = mean of -log10(e-value) for SEA-predicted targets. Larger circles indicate stronger confidence of predicted targets. Color of circles = Mean of max T values. Warmer colors (red) indicate better molecule-molecule matching, a second measure of prediction confidence. Y axis reference line (0.0815) and X axis reference line (17) are the average value for the world’s most widely prescribed psychiatric medications (aripiprazole and quetiapine).[74] These predictions suggest that nuciferine and its metabolites (O-nornuciferine, lirinidine) may be responsible for the psychotropic effects reported in humans. Chemical structures of nuciferine, O-nornuciferine, and lirinidine provided.