FIGURE 3.

Contour maps of the best CoMFA and CoMSIA models for PfdUTPase inhibition surrounding the most potent inhibitor (cpd. 1); (A,B) CoMFA steric and electrostatic contour maps; (C,D) CoMSIA electrostatic and hydrophobic contour maps. Steric fields: green contours indicate regions where bulky groups are favorable to biological activity; electrostatic fields: red contours indicate regions where electronegative groups are favorable for biological activity, while blue contours indicate regions where electronegative groups are unfavorable; hydrophobic fields: cyan contours indicate regions where hydrophobic groups are favorable to biological activity.