Fig. 9.
A, steric and electrostatic maps from the UGT1A9 CoMFA model of CLint. Morin (compound 19; left) and dioxy (compound 16; right) are shown inside the field for reference. Green indicates areas in which bulky groups are sterically favorable for glucuronidation. Blue indicates areas in which electropositive atoms are favorable for glucuronidation. Red indicates areas in which electronegative atoms are favorable for glucuronidation. B, matching of the CoMFA to experimental data. I, effect of 5-OMe on CLint was not well defined. II, bulky groups at C6 increased CLint values. III, 7-OMe increased CLint values. IV, effect of 2′-OMe on CLint was not well defined. V1, 3-OH increased CLint values. V2, effect of 4′-OMe on CLint was not well defined. The compound numbers are labeled above the abbreviated chemical names.