Abstract
In an attempt to understand the mechanism by which antifolate agents bind to dihydrofolate reductase, it became necessary to examine existing inhibitors in greater detail. This paper is a result of an investigation of such inhibitors by means of molecular orbital calculations. The main point of departure from previous studies (9, 10) is that the enol form of the 2-amino, 4-hydroxy, pteridines has been assumed to be the active isomer. With this assumption the anomalous action of 2-amino, 4-hydroxy, 6-formyl pteridine has been explained. The present investigation gives further support to the basicity hypothesis as formulated by Pullman et al. (10).
- Copyright ©, 1967, by Academic Press Inc.
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