Docking and quantitative structure–activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors
Fig 6
FQSAR contour maps of the best models of PDE3A inhibitors for the PPA (a, b), PA (c, d) and DA (e) schemes. Compounds 1–2 (orange), 2-2b (purple), 4-6b (light green), and 5-3q (gray) are included as reference. In (e), the metal and ligand binding sites are shown for comparison following the same styling as Fig 3. Fields include steric (S), electrostatic (E), hydrophobic (H), H-bond acceptor (A) and donor (D). Images were generated using contour for positive and negative contribution values of 4.0 × 10−3 and −4.0 × 10−3, respectively.