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. Author manuscript; available in PMC: 2014 Sep 26.
Published in final edited form as: J Med Chem. 2013 Sep 9;56(18):10.1021/jm400954h. doi: 10.1021/jm400954h

Figure 5.

Figure 5

3D-QSAR contour maps based on docked poses for IC50 target variable. For reference, colchicine is shown in beige in all maps. (See text for legend to numbered highlights.) a) Contour maps of the CoMFA model. Green and yellow contours indicate favorable and unfavorable steric interactions, respectively. Blue regions favor electropositive groups and red regions favor electronegative groups. b) The contour maps of the CoMFA+HINT model with the contours representing the HINT hydrophobic/polar field. Cyan contours indicate favorable hydrophobic interactions while purple contours indicate favorable polar interactions. c) The contour maps of the hydrogen bond donor and acceptor fields from the CoMSIA model. Black and light green represent regions that favor and disfavor hydrogen bond donors, respectively. Magenta and orange represent regions that favor and disfavor hydrogen bond acceptors, respectively.