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Image Search Results
Journal: The Journal of Pharmacology and Experimental Therapeutics
Article Title: Three-Dimensional Quantitative Structure-Activity Relationship Studies on UGT1A9-Mediated 3-O-Glucuronidation of Natural Flavonols Using a Pharmacophore-Based Comparative Molecular Field Analysis Model
doi: 10.1124/jpet.110.175356
Figure Lengend Snippet: Kinetics parameters of UGT1A9 mediated 3-O-glucuronidation with flavonols, together with the predicted V max and CL int values from their respective CoMFA models
Article Snippet: Expressed
Techniques:
Journal: The Journal of Pharmacology and Experimental Therapeutics
Article Title: Three-Dimensional Quantitative Structure-Activity Relationship Studies on UGT1A9-Mediated 3-O-Glucuronidation of Natural Flavonols Using a Pharmacophore-Based Comparative Molecular Field Analysis Model
doi: 10.1124/jpet.110.175356
Figure Lengend Snippet: Structural modifications affect the Km values of UGT1A9-mediated 3-O-glucuronidation. A, Km values were decreased in the presence of 1, substitutions of -OH at positions of C3′ or C4′; 2, -OMe groups at C3′, C4′, C5, or C6; or 3, -Me group at C6. B, Km values were increased by >1-fold with the additions of 2′-OH or 6-OH. The compound numbers are labeled above the abbreviated chemical names.
Article Snippet: Expressed
Techniques: Labeling
Journal: The Journal of Pharmacology and Experimental Therapeutics
Article Title: Three-Dimensional Quantitative Structure-Activity Relationship Studies on UGT1A9-Mediated 3-O-Glucuronidation of Natural Flavonols Using a Pharmacophore-Based Comparative Molecular Field Analysis Model
doi: 10.1124/jpet.110.175356
Figure Lengend Snippet: Scatter plot of Vmax and Km derived from kinetics of UGT1A9-mediated 3-O-glucuronidation of flavonols.
Article Snippet: Expressed
Techniques: Derivative Assay
Journal: The Journal of Pharmacology and Experimental Therapeutics
Article Title: Three-Dimensional Quantitative Structure-Activity Relationship Studies on UGT1A9-Mediated 3-O-Glucuronidation of Natural Flavonols Using a Pharmacophore-Based Comparative Molecular Field Analysis Model
doi: 10.1124/jpet.110.175356
Figure Lengend Snippet: A, steric and electrostatic maps from the UGT1A9 CoMFA model of Vmax. Morin (compound 19; left) and isorhamnetin (compound 17; 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, bulky groups at C6 increased Vmax values. II, 7-OH or 7-OMe increased Vmax values. III, 2′-OMe increased Vmax values. IV1, 3-OH or 3-OMe increased Vmax values. IV2, 4-OH or 4-OMe decreased Vmax values. The compound numbers are labeled above the abbreviated chemical names.
Article Snippet: Expressed
Techniques: Labeling
Journal: The Journal of Pharmacology and Experimental Therapeutics
Article Title: Three-Dimensional Quantitative Structure-Activity Relationship Studies on UGT1A9-Mediated 3-O-Glucuronidation of Natural Flavonols Using a Pharmacophore-Based Comparative Molecular Field Analysis Model
doi: 10.1124/jpet.110.175356
Figure Lengend Snippet: 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.
Article Snippet: Expressed
Techniques: Labeling