A principal component analysis (PCA) plot of AcrAB−TolC substrates and inhibitors. A PCA plot made with physicochemical properties (molecular weight, hydrophilic-lipophilic Balance, logP, topological polar surface area, minimum projection area, maximum projection area obtained from the UCSF ChimeraX, (93, 94) of 50 molecules that have been tested as substrates as well as 7 inhibitors (bold) for AcrAB−TolC. Potential access channels are roughly depicted based on the molecules with the reported dedicate access channels (57, 60, 62, 63, 66, 95-97).
