Figure 3
From: Prediction and evaluation of the lipase inhibitory activities of tea polyphenols with 3D-QSAR models
Contours of CoMFA and CoMSIA analysis with compound 8 as template molecule.
(a) The steric fields of CoMFA. Green contours refer to the regions in which bulky groups elevate activities. Yellow contours suggest the regions in which bulky groups reduce activities; (b) The electrostatic fields of CoMFA. The contours in blue and red respectively represent favored regions of electron-donating groups and electron-withdrawing groups; (c) The contours in green and yellow respectively indicate bulky and minor groups favored regions; (d) Hydrophobic fields of CoMSIA. The contours in blue and red respectively locate the favored hydrophilic and hydrophobic regions; (e) Hydrogen-bond donor fields of CoMSIA. The contours in cyan and purple respectively locate the regions in which hydrogen-bond donor groups are favorable and unfavorable.
