Computational studies on pterins and speculations on the mechanism of action of dihydrofolate reductase

Biochem Biophys Res Commun. 1989 May 30;161(1):64-8. doi: 10.1016/0006-291x(89)91560-x.

Abstract

The significance of the enol form of the pterin ring in enzymatic reduction of dihydrofolate by DHFR is discussed on the basis of the results of ab initio calculations carried out on the keto/enol tautomers of 6-methyl-7, 8-dihydropterin as the model compound for the natural substrate, dihydrofolate.

MeSH terms

  • Electron Transport
  • Hydrogen Bonding
  • Mathematics
  • NADP
  • Oxidation-Reduction
  • Pterins*
  • Structure-Activity Relationship
  • Tetrahydrofolate Dehydrogenase*

Substances

  • Pterins
  • NADP
  • Tetrahydrofolate Dehydrogenase