Using Topomer Comparative Molecular Field Analysis to Elucidate Activity Differences of Aminomethylenethiophene Derivatives as Lysyl Oxidase Inhibitors: Implications for Rational Design of Antimetastatic Agents for Cancer Therapy

Figure 3

Molecular field contour map pertaining to the R2 fragments using compound 22 as the reference. (a) Steric contours of the R2 fragment. (b) Electrostatic contours of the R2 fragment. Yellow contours imply that less steric hindrance is favourable, while green polyhedra indicate that the sterically bulky group is beneficial. Blue contours signify that the electron-donating groups are favored, while red contours reveal that the electron-withdrawing substituents are preferred.

(a)

(b)