Figure 3
From: Predicting the points of interaction of small molecules in the NF-κB pathway
Distribution of Compounds in a Representation of Chemical Space. The three principle components were calculated from 184 2D descriptors in MOE[21] and describe 51.1% of the variance. Type of interaction: orange = IKK inhibitors; pink = ROS interactions; blue = DNA interaction; green = inhibits translocation; yellow = increases IκB degradation & phosphorylation; yellow = decreases IκB degradation & phosphorylation; black = unknown. The compounds with unknown interactions in the area A all come from series of compounds based on Resveratrol[25] (bottom).