Abstract
The Hansch method of correlating biological activity with chemical structure, using regression analysis, was applied to the catechol O-methyltransferase-catalyzed O-methylation of neutral side chain-substituted catechols. A correlation of the ratio (meta:para) of O-methylated products with the steric effect of the substituent, as well as the transport factor, was found. The electronic character of the substituent did not effect the product distribution. The experimentally determined maximum velocities for the substrate reaction could be correlated with the steric and electronic parameters of the substrates. The Michaelis-Menten coefficient (Km) was poorly correlated, apparently because of the inherent error in the extrapolation from which it was obtained.
ACKNOWLEDGMENTS We would like to thank Drs. C. R. Creveling and J. W. Daly for permitting us to examine and use their data, and for their encouragement. We would also like to thank Dr. Corwin Hansch forh for kindly making his excellent computer program available to us.
- Copyright ©, 1972, by Academic Press, Inc.
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