Figure 2

CoMFA contour maps. The contour maps of CoMFA modeling, sterically favored areas are represented by green isopleths while yellow regions are served for sterically unfavorable regions. However, electropositivity and electronegativity are represented by blue and red contours, respectively. a-b are representative of ligand-based CoMFA descriptors of most active (comp-32) and least active (comp-46) whereas c-d demonstrate structure-based CoMFA contour maps with active and in-active compounds, 32 and 46, respectively.